A0A087X5Y7_POEFO Loading...

Transport and golgi organization 6 homolog

AlphaFold DB , UniProt , Accession A0A087X5Y7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,068 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1E44.9Very low74.7Confident178 Ų17857.9 Ų57.983%0.83231%0.314SS*.  0-1090-63.8158-123.300110.9E3 M4 H97 E101E1-E3 VanDerWaalsContact C-N 3.29Å; E1-E3 PolarHBondContact O-N 3.18Å; E1-M4 PolarHBondContact O-N 2.97Å; E1-H97 PolarHBondContact O-NE2 3.09Å; E1-E101 WeakPolarHBondContact CA-OE2 3.43Å; E1-E101 WeakPolarHBondContact CG-OE2 3.49Å
2T55.8Low75.7Confident121 Ų12153.3 Ų53.374%0.74229%0.289SS*.Hα-helixtrans-61.2-17.8-166.949.50000118T5T2-T5 PolarHBondContact O-OG1 2.92Å
3E62.8Low76.6Confident121 Ų12153 Ų5357%0.56529%0.287SS*.Hα-helixtrans-70.4-48.3175.7-66.6-174.9171.800112.9E1 T5 S6 E7 R57E1-E3 VanDerWaalsContact C-N 3.29Å; E1-E3 PolarHBondContact O-N 3.18Å; E3-T5 PolarHBondContact O-N 3.12Å; E3-S6 WeakPolarHBondContact O-CA 3.32Å; E3-S6 WeakPolarHBondContact O-CB 3.39Å; E3-S6 PolarHBondContact O-N 3.48Å; E3-E7 PolarHBondContact O-N 3.49Å; E3-R57 IonicContact OE2-CZ 3.57Å; E3-R57 IonicContact OE2-NH1 2.76Å; E3-R57 PolarHBondContact OE2-NH1 3.45Å; E3-R57 IonicContact OE2-NH2 3.3Å; E3-R57 PolarHBondContact OE2-NH2 3.26Å
4M72.3Confident77.3Confident62 Ų6251.6 Ų51.631%0.30528%0.279SS..Hα-helixtrans-64.5-38.3-172.4-82.8175.3164.600112.5E1 S6 E7 I8 R57 H97E1-M4 PolarHBondContact O-N 2.97Å; M4-S6 PolarHBondContact O-N 2.73Å; M4-E7 PolarHBondContact O-N 3.46Å; M4-I8 WeakPolarHBondContact O-CG1 3.31Å; M4-I8 PolarHBondContact O-N 3.37Å; M4-R57 HydrophobicContact CE-CB 4.25Å; M4-R57 HydrophobicContact CE-CG 4.44Å; M4-R57 HydrophobicContact CG-CB 4.24Å; M4-H97 WeakPolarHBondContact CB-NE2 3.41Å; M4-H97 PolarHBondContact SD-CE1 3.48Å
5T79.6Confident77.8Confident16 Ų1648.3 Ų48.310%0.09826%0.261CS..Hα-helixtrans-61.9-37.5174.1530000110.8T2 E3 L9 H97 L98T2-T5 PolarHBondContact O-OG1 2.92Å; E3-T5 PolarHBondContact O-N 3.12Å; T5-L9 VanDerWaalsContact O-CB 3.3Å; T5-L9 WeakPolarHBondContact O-CB 3.47Å; T5-L9 WeakPolarHBondContact O-CD1 3.45Å; T5-L9 WeakPolarHBondContact O-CG 3.34Å; T5-L9 PolarHBondContact O-N 2.72Å; T5-H97 WeakPolarHBondContact CG2-NE2 3.22Å; T5-H97 PolarHBondContact N-NE2 3.1Å; T5-L98 HydrophobicContact CG2-CD2 3.57Å
6S80.6Confident78.2Confident66 Ų6646.2 Ų46.246%0.46225%0.25SS..Hα-helixtrans-63.7-40.8174.9-156.20000112.7E3 M4 L9 S10E3-S6 WeakPolarHBondContact O-CA 3.32Å; E3-S6 WeakPolarHBondContact O-CB 3.39Å; E3-S6 PolarHBondContact O-N 3.48Å; M4-S6 PolarHBondContact O-N 2.73Å; S6-L9 PolarHBondContact O-N 2.71Å; S6-S10 WeakPolarHBondContact O-CB 3.42Å; S6-S10 PolarHBondContact O-N 2.82Å; S6-S10 PolarHBondContact O-OG 3.27Å
7E84.1Confident78.3Confident20 Ų2049.5 Ų49.59%0.09326%0.264CS..Hα-helixtrans-64.4-42.6177.2-65.2178.2-134.600113.3E3 M4 L9 S10 A11 S54 R57 A58E3-E7 PolarHBondContact O-N 3.49Å; M4-E7 PolarHBondContact O-N 3.46Å; E7-L9 VanDerWaalsContact C-N 3.33Å; E7-S10 PolarHBondContact O-OG 3.36Å; E7-A11 PolarHBondContact O-N 3.05Å; E7-A11 VanDerWaalsContact O-N 3.08Å; E7-S54 VanDerWaalsContact CG-O 3.25Å; E7-S54 WeakPolarHBondContact CG-O 3.45Å; E7-R57 WeakPolarHBondContact OE1-CD 3.45Å; E7-R57 IonicContact OE1-CZ 2.96Å; E7-R57 IonicContact OE1-NE 3.36Å; E7-R57 IonicContact OE1-NH1 2.77Å; E7-R57 PolarHBondContact OE1-NH1 3.12Å; E7-R57 WeakPolarHBondContact OE2-CB 3.35Å; E7-R57 VanDerWaalsContact OE2-CG 3.28Å; E7-R57 WeakPolarHBondContact OE2-CG 3.15Å; E7-R57 PolarHBondContact OE2-N 3.27Å; E7-A58 HydrophobicContact CB-CB 3.97Å
8I83.9Confident77.6Confident1 Ų153.3 Ų53.31%0.00529%0.292CS..Hα-helixtrans-68.6-38.7177.2-53.4167.6000109.6M4 A11 I12 A58 L61 L94 H97M4-I8 WeakPolarHBondContact O-CG1 3.31Å; M4-I8 PolarHBondContact O-N 3.37Å; I8-A11 PolarHBondContact O-N 3.16Å; I8-I12 HydrophobicContact CG2-CD1 4.11Å; I8-I12 VanDerWaalsContact O-CG1 3.3Å; I8-I12 WeakPolarHBondContact O-CG1 3.25Å; I8-I12 PolarHBondContact O-N 3.29Å; I8-A58 HydrophobicContact CG1-CB 4.03Å; I8-L61 HydrophobicContact CD1-CD1 3.91Å; I8-L61 HydrophobicContact CG1-CD1 4.47Å; I8-L94 HydrophobicContact CB-CD1 4.37Å; I8-L94 HydrophobicContact CD1-CD1 4.46Å; I8-L94 HydrophobicContact CG2-CB 3.97Å; I8-L94 HydrophobicContact CG2-CD1 4.22Å; I8-H97 HydrophobicContact CD1-CB 4Å
9L85.7Confident76.7Confident9 Ų954.9 Ų54.95%0.04730%0.299CS..Hα-helixtrans-73-29.3179.7-69.3163.8000112.7T5 S6 E7 I12 N13 L94 L129 Q133 V137T5-L9 VanDerWaalsContact O-CB 3.3Å; T5-L9 WeakPolarHBondContact O-CB 3.47Å; T5-L9 WeakPolarHBondContact O-CD1 3.45Å; T5-L9 WeakPolarHBondContact O-CG 3.34Å; T5-L9 PolarHBondContact O-N 2.72Å; S6-L9 PolarHBondContact O-N 2.71Å; E7-L9 VanDerWaalsContact C-N 3.33Å; L9-I12 HydrophobicContact CD2-CD1 4.36Å; L9-N13 VanDerWaalsContact O-CB 3.27Å; L9-N13 WeakPolarHBondContact O-CB 3.46Å; L9-N13 PolarHBondContact O-N 3.02Å; L9-L94 HydrophobicContact CD2-CD1 4.35Å; L9-L94 HydrophobicContact CD2-CD2 3.91Å; L9-L94 HydrophobicContact CG-CD1 4.22Å; L9-L129 HydrophobicContact CD1-CD2 3.98Å; L9-Q133 HydrophobicContact CD1-CB 3.95Å; L9-Q133 HydrophobicContact CD1-CG 3.75Å; L9-V137 HydrophobicContact CD2-CG2 3.43Å; L9-V137 VanDerWaalsContact CD2-CG2 3.43Å
10S85.8Confident75.2Confident43 Ų4355.9 Ų55.930%0.30132%0.323SS..Hα-helixtrans-70.6-40.4170.267.10000111.3S6 E7 I12 N13 I14 L55S6-S10 WeakPolarHBondContact O-CB 3.42Å; S6-S10 PolarHBondContact O-N 2.82Å; S6-S10 PolarHBondContact O-OG 3.27Å; E7-S10 PolarHBondContact O-OG 3.36Å; S10-I12 PolarHBondContact O-N 3.31Å; S10-N13 CarbonylContact O-C 3.58Å; S10-N13 WeakPolarHBondContact O-CB 3.43Å; S10-N13 PolarHBondContact O-N 3.48Å; S10-N13 VanDerWaalsContact O-N 3.14Å; S10-I14 WeakPolarHBondContact O-CD1 3.25Å; S10-I14 VanDerWaalsContact O-CG1 3.32Å; S10-I14 WeakPolarHBondContact O-CG1 3.24Å; S10-I14 PolarHBondContact O-N 3.28Å; S10-L55 VanDerWaalsContact OG-CD2 3.28Å; S10-L55 WeakPolarHBondContact OG-CD2 3.46Å
11A85.8Confident73.5Confident0 Ų057.7 Ų57.70%034%0.344CS..Hα-helixtrans-59.5-43.7171.500000112.5E7 I8 N13 I14 L15 L45 L49 L90E7-A11 PolarHBondContact O-N 3.05Å; E7-A11 VanDerWaalsContact O-N 3.08Å; I8-A11 PolarHBondContact O-N 3.16Å; A11-N13 VanDerWaalsContact C-N 3.32Å; A11-N13 PolarHBondContact O-N 2.71Å; A11-I14 PolarHBondContact O-N 3.48Å; A11-L15 PolarHBondContact O-N 3.17Å; A11-L15 VanDerWaalsContact O-N 3.16Å; A11-L45 HydrophobicContact CB-CD1 4.03Å; A11-L49 HydrophobicContact CB-CD2 4.46Å; A11-L90 HydrophobicContact CB-CD1 4.37Å; A11-L90 HydrophobicContact CB-CD2 4.12Å
12I86.8Confident73.1Confident3 Ų353.8 Ų53.82%0.01534%0.342CS..Hα-helixtrans-64-39.1173.8-65.5165.9000110.8I8 L9 S10 L15 T16 L90 L94 T136 A140I8-I12 HydrophobicContact CG2-CD1 4.11Å; I8-I12 VanDerWaalsContact O-CG1 3.3Å; I8-I12 WeakPolarHBondContact O-CG1 3.25Å; I8-I12 PolarHBondContact O-N 3.29Å; L9-I12 HydrophobicContact CD2-CD1 4.36Å; S10-I12 PolarHBondContact O-N 3.31Å; I12-L15 PolarHBondContact O-N 2.85Å; I12-T16 HydrophobicContact CG2-CG2 4.36Å; I12-T16 WeakPolarHBondContact O-CB 3.23Å; I12-T16 WeakPolarHBondContact O-CG2 3.35Å; I12-T16 PolarHBondContact O-N 3.37Å; I12-T16 PolarHBondContact O-OG1 3.44Å; I12-L90 HydrophobicContact CD1-CB 4.22Å; I12-L90 HydrophobicContact CG1-CB 3.68Å; I12-L90 HydrophobicContact CG1-CD1 3.96Å; I12-L90 HydrophobicContact CG1-CG 4.38Å; I12-L94 HydrophobicContact CD1-CD2 4.13Å; I12-T136 HydrophobicContact CB-CG2 4.11Å; I12-T136 HydrophobicContact CG2-CG2 3.78Å; I12-A140 HydrophobicContact CG2-CB 3.59Å
13N87.7Confident72.4Confident49 Ų4957.1 Ų57.126%0.26235%0.349SS..Hα-helixtrans-64.3-43.6176.5177.179.6000112.1L9 S10 A11 L15 T16 Q17 T136L9-N13 VanDerWaalsContact O-CB 3.27Å; L9-N13 WeakPolarHBondContact O-CB 3.46Å; L9-N13 PolarHBondContact O-N 3.02Å; S10-N13 CarbonylContact O-C 3.58Å; S10-N13 WeakPolarHBondContact O-CB 3.43Å; S10-N13 PolarHBondContact O-N 3.48Å; S10-N13 VanDerWaalsContact O-N 3.14Å; A11-N13 VanDerWaalsContact C-N 3.32Å; A11-N13 PolarHBondContact O-N 2.71Å; N13-L15 VanDerWaalsContact C-N 3.3Å; N13-L15 PolarHBondContact O-N 2.99Å; N13-T16 PolarHBondContact O-N 3.27Å; N13-Q17 VanDerWaalsContact CG-NE2 3.33Å; N13-Q17 VanDerWaalsContact ND2-CD 3.31Å; N13-Q17 PolarHBondContact ND2-NE2 3.38Å; N13-Q17 WeakPolarHBondContact O-CB 3.21Å; N13-Q17 VanDerWaalsContact O-CG 3.32Å; N13-Q17 WeakPolarHBondContact O-CG 3.28Å; N13-Q17 PolarHBondContact O-N 2.92Å; N13-Q17 WeakPolarHBondContact OD1-CG 3.33Å; N13-Q17 PolarHBondContact OD1-NE2 2.97Å; N13-T136 HydrophobicContact CB-CG2 3.8Å
14I86.1Confident71.5Confident34 Ų3454.8 Ų54.817%0.17435%0.351CS..Hα-helixtrans-56.5-44.7174.4-70.9154.1000110.8S10 A11 T16 V44 L45 Q48 L55S10-I14 WeakPolarHBondContact O-CD1 3.25Å; S10-I14 VanDerWaalsContact O-CG1 3.32Å; S10-I14 WeakPolarHBondContact O-CG1 3.24Å; S10-I14 PolarHBondContact O-N 3.28Å; A11-I14 PolarHBondContact O-N 3.48Å; I14-T16 PolarHBondContact O-N 2.77Å; I14-V44 HydrophobicContact CG2-CG1 4.1Å; I14-L45 HydrophobicContact CG2-CB 4.2Å; I14-L45 HydrophobicContact CG2-CD1 4.33Å; I14-Q48 VanDerWaalsContact CD1-OE1 3.23Å; I14-L55 HydrophobicContact CD1-CD1 3.92Å
15L85.3Confident70Confident1 Ų155.8 Ų55.81%0.00536%0.364CS..Hα-helixtrans-69.3-31179.7-170.259.5000113.2A11 I12 N13 N41 R42 L45 F83 E86 C87 L90A11-L15 PolarHBondContact O-N 3.17Å; A11-L15 VanDerWaalsContact O-N 3.16Å; I12-L15 PolarHBondContact O-N 2.85Å; N13-L15 VanDerWaalsContact C-N 3.3Å; N13-L15 PolarHBondContact O-N 2.99Å; L15-N41 HydrophobicContact CD1-CB 4.45Å; L15-N41 PolarHBondContact O-ND2 3.38Å; L15-R42 HydrophobicContact CD1-CB 4.48Å; L15-L45 HydrophobicContact CB-CD2 4.16Å; L15-L45 HydrophobicContact CD1-CB 4.45Å; L15-L45 HydrophobicContact CD1-CD2 3.92Å; L15-L45 HydrophobicContact CD2-CD2 3.97Å; L15-L45 HydrophobicContact CG-CD2 4.24Å; L15-F83 HydrophobicContact CD1-CD2 3.78Å; L15-F83 HydrophobicContact CD1-CE2 3.48Å; L15-F83 VanDerWaalsContact CD1-CE2 3.48Å; L15-F83 HydrophobicContact CD1-CZ 4.19Å; L15-F83 HydrophobicContact CG-CD2 4.41Å; L15-F83 HydrophobicContact CG-CE2 3.79Å; L15-F83 HydrophobicContact CG-CZ 3.98Å; L15-F83 VanDerWaalsContact O-CE2 3.31Å; L15-F83 WeakPolarHBondContact O-CE2 3.42Å; L15-F83 WeakPolarHBondContact O-CZ 3.29Å; L15-E86 HydrophobicContact CD2-CB 4.01Å; L15-C87 HydrophobicContact CD2-CB 4.36Å; L15-C87 WeakPolarHBondContact CD2-SG 3.19Å; L15-L90 HydrophobicContact CD2-CD1 4.03Å
16T83.9Confident68.3Low15 Ų1560.3 Ų60.39%0.09240%0.403CS..Hα-helixtrans-103.3-14-171.254.70000115.4I12 N13 I14 A140 F143I12-T16 HydrophobicContact CG2-CG2 4.36Å; I12-T16 WeakPolarHBondContact O-CB 3.23Å; I12-T16 WeakPolarHBondContact O-CG2 3.35Å; I12-T16 PolarHBondContact O-N 3.37Å; I12-T16 PolarHBondContact O-OG1 3.44Å; N13-T16 PolarHBondContact O-N 3.27Å; I14-T16 PolarHBondContact O-N 2.77Å; T16-A140 HydrophobicContact CG2-CB 3.94Å; T16-F143 HydrophobicContact CG2-CD2 4.01Å; T16-F143 HydrophobicContact CG2-CE2 4.36Å
17Q80.4Confident66.6Low103 Ų10366.2 Ų66.248%0.48142%0.423SS..SBendtrans-70.3143.3173.9-81.7-170.7-0.700111.5N13 L19 N41N13-Q17 VanDerWaalsContact CG-NE2 3.33Å; N13-Q17 VanDerWaalsContact ND2-CD 3.31Å; N13-Q17 PolarHBondContact ND2-NE2 3.38Å; N13-Q17 WeakPolarHBondContact O-CB 3.21Å; N13-Q17 VanDerWaalsContact O-CG 3.32Å; N13-Q17 WeakPolarHBondContact O-CG 3.28Å; N13-Q17 PolarHBondContact O-N 2.92Å; N13-Q17 WeakPolarHBondContact OD1-CG 3.33Å; N13-Q17 PolarHBondContact OD1-NE2 2.97Å; Q17-L19 PolarHBondContact O-N 3.47Å; Q17-N41 PolarHBondContact O-ND2 3.17Å
18P66.1Low65.3Low118 Ų11868.6 Ų68.677%0.76644%0.439SS*.  trans-68.8114.4164.429.3-31.2000108.5G20P18-G20 PolarHBondContact O-N 2.96Å; P18-G20 VanDerWaalsContact O-N 3.16Å
19L59.5Low64.6Low84 Ų8470.5 Ų70.544%0.4445%0.452SS..  trans-53.3123.4166.5-76169.7000108.5Q17 A21 A40 N41 V44Q17-L19 PolarHBondContact O-N 3.47Å; L19-A21 PolarHBondContact O-N 3.21Å; L19-A40 HydrophobicContact CD1-CB 3.73Å; L19-N41 VanDerWaalsContact CD1-OD1 3.3Å; L19-N41 WeakPolarHBondContact CD1-OD1 3.35Å; L19-N41 WeakPolarHBondContact CG-OD1 3.37Å; L19-V44 HydrophobicContact CD1-CG2 4.23Å
20G47.8Very low63.8Low74 Ų7477.5 Ų77.576%0.76349%0.485SS*.  trans-53.9124-179.100000109.7P18 A22P18-G20 PolarHBondContact O-N 2.96Å; P18-G20 VanDerWaalsContact O-N 3.16Å; G20-A22 PolarHBondContact O-N 3.15Å
21A38Very low63Low94 Ų9478.7 Ų78.778%0.77749%0.486SS*.  trans-50.5103.8-156.100000113.7L19 E23L19-A21 PolarHBondContact O-N 3.21Å; A21-E23 PolarHBondContact O-N 3.41Å
22A37.7Very low62.3Low96 Ų9684.1 Ų84.179%0.79351%0.511SS*.  trans-73.277.7174.700000110G20 A24G20-A22 PolarHBondContact O-N 3.15Å; A22-A24 VanDerWaalsContact C-N 3.26Å; A22-A24 PolarHBondContact O-N 3.32Å
23E41.8Very low61.8Low191 Ų19186 Ų8689%0.89353%0.527SS*.  trans38.746.1168-59.2-165.4143.300115.7A21 S25A21-E23 PolarHBondContact O-N 3.41Å; E23-S25 PolarHBondContact O-N 3.24Å
24A42.2Very low61.4Low72 Ų7285.1 Ų85.160%0.59552%0.522SS*.  trans-62.2103.917300000109.8A22 A26A22-A24 VanDerWaalsContact C-N 3.26Å; A22-A24 PolarHBondContact O-N 3.32Å; A24-A26 PolarHBondContact O-N 3.13Å
25S41.5Very low61.2Low82 Ų8286.2 Ų86.257%0.57353%0.526SS*.  trans-50.6135.9-178.559.40000111.6E23 Q27 T28E23-S25 PolarHBondContact O-N 3.24Å; S25-Q27 PolarHBondContact O-N 3.46Å; S25-T28 PolarHBondContact O-N 3.26Å; S25-T28 PolarHBondContact O-OG1 3.41Å
26A43.7Very low60.9Low111 Ų11189.2 Ų89.292%0.91755%0.551SS**THydrogen-bonded Turntrans-71.134.2-165.500000116.4A24A24-A26 PolarHBondContact O-N 3.13Å
27Q46.1Very low60.9Low190 Ų19090.4 Ų90.489%0.88856%0.563SS**THydrogen-bonded Turntrans-133.5-11.3-179.8-66.2-172.6-12.900114.4S25S25-Q27 PolarHBondContact O-N 3.46Å
28T56.4Low61.1Low70 Ų7085.8 Ų85.843%0.42954%0.542SS..SBendtrans-71.6147.1173.749.20000111.6S25S25-T28 PolarHBondContact O-N 3.26Å; S25-T28 PolarHBondContact O-OG1 3.41Å
29S68.1Low61.9Low41 Ų4181.4 Ų81.429%0.28752%0.518SS..  trans-66.3154.5173.471.70000111.7Q31 E32 A33S29-Q31 PolarHBondContact O-N 3.16Å; S29-Q31 PolarHBondContact OG-N 3.22Å; S29-E32 WeakPolarHBondContact CB-OE2 3.26Å; S29-E32 PolarHBondContact N-OE2 3.08Å; S29-E32 PolarHBondContact O-N 3.27Å; S29-E32 VanDerWaalsContact OG-CD 3.27Å; S29-E32 WeakPolarHBondContact OG-CG 3.45Å; S29-E32 PolarHBondContact OG-N 3.45Å; S29-E32 PolarHBondContact OG-OE2 3.43Å; S29-A33 PolarHBondContact O-N 3.14Å; S29-A33 VanDerWaalsContact O-N 3.14Å
30Q68.4Low63.1Low156 Ų15679.2 Ų79.273%0.72951%0.511SS*.Hα-helixtrans-59.9-15.8173.9-67.7-178.5-1700113.2V170Q30-V170 HydrophobicContact CB-CG1 4.33Å
31Q69.7Low65Low68 Ų6876.1 Ų76.132%0.31848%0.477SS..Hα-helixtrans-79-56.7175.9-64.2171.6-61.500110.1S29 A33 L34 H35 V170 L174S29-Q31 PolarHBondContact O-N 3.16Å; S29-Q31 PolarHBondContact OG-N 3.22Å; Q31-A33 VanDerWaalsContact C-N 3.27Å; Q31-A33 PolarHBondContact O-N 3.32Å; Q31-L34 PolarHBondContact O-N 3.43Å; Q31-L34 VanDerWaalsContact O-N 3.07Å; Q31-H35 PolarHBondContact O-N 2.98Å; Q31-V170 HydrophobicContact CG-CG1 3.78Å; Q31-L174 HydrophobicContact CB-CD2 3.78Å; Q31-L174 HydrophobicContact CB-CG 4.13Å; Q31-L174 HydrophobicContact CG-CG 4.39Å; Q31-L174 WeakPolarHBondContact O-CD2 3.41Å
32E71.8Confident67.3Low115 Ų11573.8 Ų73.854%0.53745%0.449SS..Hα-helixtrans-57.4-41179.8-67.3153.9135.800111.6S29 L34 H35 A36S29-E32 WeakPolarHBondContact CB-OE2 3.26Å; S29-E32 PolarHBondContact N-OE2 3.08Å; S29-E32 PolarHBondContact O-N 3.27Å; S29-E32 VanDerWaalsContact OG-CD 3.27Å; S29-E32 WeakPolarHBondContact OG-CG 3.45Å; S29-E32 PolarHBondContact OG-N 3.45Å; S29-E32 PolarHBondContact OG-OE2 3.43Å; E32-L34 PolarHBondContact O-N 3Å; E32-H35 PolarHBondContact O-N 2.87Å; E32-A36 WeakPolarHBondContact O-CB 3.35Å; E32-A36 PolarHBondContact O-N 3.3Å
33A76.2Confident69.5Low42 Ų4272.5 Ų72.535%0.34743%0.434SS..Hα-helixtrans-60.6-41.4175.800000113S29 Q31 A37S29-A33 PolarHBondContact O-N 3.14Å; S29-A33 VanDerWaalsContact O-N 3.14Å; Q31-A33 VanDerWaalsContact C-N 3.27Å; Q31-A33 PolarHBondContact O-N 3.32Å; A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 2.96Å
34L79.8Confident71.6Confident31 Ų3165.2 Ų65.216%0.16240%0.402CS..Hα-helixtrans-74-37.4177.9-179.157.2000112Q31 E32 A37 L38 F167 V171 L174Q31-L34 PolarHBondContact O-N 3.43Å; Q31-L34 VanDerWaalsContact O-N 3.07Å; E32-L34 PolarHBondContact O-N 3Å; L34-A37 PolarHBondContact O-N 2.95Å; L34-L38 HydrophobicContact CD1-CG 4.37Å; L34-L38 WeakPolarHBondContact O-CG 3.28Å; L34-L38 PolarHBondContact O-N 3.44Å; L34-F167 HydrophobicContact CD1-CZ 4.09Å; L34-F167 HydrophobicContact CD2-CE1 4.28Å; L34-F167 HydrophobicContact CD2-CE2 3.97Å; L34-F167 HydrophobicContact CD2-CZ 3.52Å; L34-F167 HydrophobicContact CG-CZ 4.47Å; L34-V171 HydrophobicContact CD2-CG2 4.04Å; L34-L174 HydrophobicContact CB-CD1 4.07Å; L34-L174 HydrophobicContact CD2-CD1 3.72Å; L34-L174 HydrophobicContact CG-CD1 4.02Å
35H80.2Confident73.7Confident56 Ų5661.8 Ų61.826%0.25937%0.374SS..Hα-helixtrans-62.6-43.8174.7-169.4-88.1000111.5Q31 E32 G39 V79 L174Q31-H35 PolarHBondContact O-N 2.98Å; E32-H35 PolarHBondContact O-N 2.87Å; H35-G39 PolarHBondContact O-N 3.48Å; H35-V79 VanDerWaalsContact CE1-CG2 3.47Å; H35-V79 WeakPolarHBondContact CE1-CG2 3.39Å; H35-L174 HydrophobicContact CB-CD2 4.06Å
36A80.7Confident75.8Confident64 Ų6459.6 Ų59.653%0.52936%0.356SS..Hα-helixtrans-63.1-42.8174.100000112.1E32 G39 A40E32-A36 WeakPolarHBondContact O-CB 3.35Å; E32-A36 PolarHBondContact O-N 3.3Å; A36-G39 PolarHBondContact O-N 2.94Å; A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.43Å
37A83.1Confident77.7Confident41 Ų4160.5 Ų60.534%0.33934%0.341SS..Hα-helixtrans-62.3-44.4177.600000112.8A33 L34 G39 A40 N41A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 2.96Å; L34-A37 PolarHBondContact O-N 2.95Å; A37-G39 VanDerWaalsContact C-N 3.31Å; A37-G39 PolarHBondContact O-N 3.43Å; A37-A40 PolarHBondContact O-N 2.87Å; A37-N41 WeakPolarHBondContact O-CB 3.47Å; A37-N41 PolarHBondContact O-N 3.46Å; A37-N41 PolarHBondContact O-OD1 3.04Å; A37-N41 VanDerWaalsContact O-OD1 3.12Å
38L83.8Confident79.5Confident6 Ų654.5 Ų54.53%0.03131%0.313CS..Hα-helixtrans-62.1-38.9176-67172.8000111.9L34 R42 V79 T80 F83 F143 L147L34-L38 HydrophobicContact CD1-CG 4.37Å; L34-L38 WeakPolarHBondContact O-CG 3.28Å; L34-L38 PolarHBondContact O-N 3.44Å; L38-R42 PolarHBondContact O-N 3.08Å; L38-V79 HydrophobicContact CB-CG1 4.48Å; L38-T80 HydrophobicContact CD1-CG2 4.31Å; L38-F83 HydrophobicContact CB-CD2 4.06Å; L38-F83 HydrophobicContact CB-CG 4.35Å; L38-F83 HydrophobicContact CD2-CD1 3.92Å; L38-F83 HydrophobicContact CD2-CD2 3.76Å; L38-F83 HydrophobicContact CD2-CE1 3.81Å; L38-F83 HydrophobicContact CD2-CE2 3.64Å; L38-F83 HydrophobicContact CD2-CG 3.9Å; L38-F83 HydrophobicContact CD2-CZ 3.67Å; L38-F83 WeakPolarHBondContact O-CD2 3.5Å; L38-F143 HydrophobicContact CD2-CE1 4.44Å; L38-L147 HydrophobicContact CD1-CD1 4.07Å; L38-L147 HydrophobicContact CD2-CD1 4.37Å
39G83.6Confident80.7Confident26 Ų2652 Ų5227%0.26830%0.297SS..Hα-helixtrans-63.3-47.6173.100000112.8H35 A36 A37 R42 S43H35-G39 PolarHBondContact O-N 3.48Å; A36-G39 PolarHBondContact O-N 2.94Å; A37-G39 VanDerWaalsContact C-N 3.31Å; A37-G39 PolarHBondContact O-N 3.43Å; G39-R42 PolarHBondContact O-N 2.88Å; G39-S43 PolarHBondContact O-N 3.43Å; G39-S43 PolarHBondContact O-OG 3.07Å
40A84.6Confident81.4Confident37 Ų3760.3 Ų60.331%0.30632%0.322SS..Hα-helixtrans-64.9-43.4-179.700000112.7L19 A36 A37 R42 S43 V44L19-A40 HydrophobicContact CD1-CB 3.73Å; A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.43Å; A37-A40 PolarHBondContact O-N 2.87Å; A40-R42 VanDerWaalsContact C-N 3.27Å; A40-R42 PolarHBondContact O-N 3.2Å; A40-S43 WeakPolarHBondContact CA-OG 3.3Å; A40-S43 PolarHBondContact O-N 2.8Å; A40-S43 PolarHBondContact O-OG 3.43Å; A40-V44 WeakPolarHBondContact O-CB 3.38Å; A40-V44 VanDerWaalsContact O-CG2 3.31Å; A40-V44 WeakPolarHBondContact O-CG2 3.42Å; A40-V44 PolarHBondContact O-N 3.34Å
41N86.9Confident81.8Confident9 Ų957 Ų575%0.04832%0.316CS..Hα-helixtrans-57.2-42.1173.7-78.529.6000111.4L15 Q17 L19 A37 L45 F83L15-N41 HydrophobicContact CD1-CB 4.45Å; L15-N41 PolarHBondContact O-ND2 3.38Å; Q17-N41 PolarHBondContact O-ND2 3.17Å; L19-N41 VanDerWaalsContact CD1-OD1 3.3Å; L19-N41 WeakPolarHBondContact CD1-OD1 3.35Å; L19-N41 WeakPolarHBondContact CG-OD1 3.37Å; A37-N41 WeakPolarHBondContact O-CB 3.47Å; A37-N41 PolarHBondContact O-N 3.46Å; A37-N41 PolarHBondContact O-OD1 3.04Å; A37-N41 VanDerWaalsContact O-OD1 3.12Å; N41-L45 WeakPolarHBondContact O-CB 3.31Å; N41-L45 PolarHBondContact O-N 3.17Å; N41-F83 HydrophobicContact CB-CE2 4.04Å
42R86.4Confident82.2Confident46 Ų4657 Ų5717%0.17432%0.318CS..Hα-helixtrans-67.8-42.4177.2179.8172.7-177.3-126.95.9112.4L15 L38 G39 A40 L46 S82 E86L15-R42 HydrophobicContact CD1-CB 4.48Å; L38-R42 PolarHBondContact O-N 3.08Å; G39-R42 PolarHBondContact O-N 2.88Å; A40-R42 VanDerWaalsContact C-N 3.27Å; A40-R42 PolarHBondContact O-N 3.2Å; R42-L46 HydrophobicContact CG-CD1 3.9Å; R42-L46 HydrophobicContact CG-CG 4.45Å; R42-L46 WeakPolarHBondContact O-CB 3.49Å; R42-L46 VanDerWaalsContact O-CG 3.31Å; R42-L46 WeakPolarHBondContact O-CG 3.49Å; R42-L46 PolarHBondContact O-N 2.83Å; R42-S82 PolarHBondContact NH1-OG 3.25Å; R42-E86 HydrophobicContact CG-CG 4.15Å; R42-E86 IonicContact CZ-OE1 3.81Å; R42-E86 IonicContact NE-OE1 3.53Å; R42-E86 PolarHBondContact NE-OE1 3.29Å; R42-E86 IonicContact NH2-OE1 2.86Å; R42-E86 PolarHBondContact NH2-OE1 3.36Å; R42-E86 VanDerWaalsContact NH2-OE1 3.1Å
43S84.6Confident82.1Confident68 Ų6854 Ų5448%0.47632%0.318SS..Hα-helixtrans-66.9-42.2178580000111.9G39 A40 L45 L46 E47G39-S43 PolarHBondContact O-N 3.43Å; G39-S43 PolarHBondContact O-OG 3.07Å; A40-S43 WeakPolarHBondContact CA-OG 3.3Å; A40-S43 PolarHBondContact O-N 2.8Å; A40-S43 PolarHBondContact O-OG 3.43Å; S43-L45 PolarHBondContact O-N 3.26Å; S43-L46 PolarHBondContact O-N 2.66Å; S43-E47 WeakPolarHBondContact O-CB 3.34Å; S43-E47 PolarHBondContact O-N 3.25Å
44V86.9Confident82Confident39 Ų3955.3 Ų55.324%0.23633%0.325CS..Hα-helixtrans-61.2-44.5176171.20000111.1I14 L19 A40 E47 Q48I14-V44 HydrophobicContact CG2-CG1 4.1Å; L19-V44 HydrophobicContact CD1-CG2 4.23Å; A40-V44 WeakPolarHBondContact O-CB 3.38Å; A40-V44 VanDerWaalsContact O-CG2 3.31Å; A40-V44 WeakPolarHBondContact O-CG2 3.42Å; A40-V44 PolarHBondContact O-N 3.34Å; V44-E47 PolarHBondContact O-N 3.12Å; V44-Q48 HydrophobicContact CG1-CG 4.4Å; V44-Q48 WeakPolarHBondContact O-CB 3.21Å; V44-Q48 WeakPolarHBondContact O-CG 3.33Å; V44-Q48 PolarHBondContact O-N 2.95Å
45L85.7Confident82.1Confident0 Ų054.1 Ų54.10%032%0.319CS..Hα-helixtrans-57.8-51.2173.4175.670.1000111.7A11 I14 L15 N41 S43 E47 Q48 L49 E86 L90A11-L45 HydrophobicContact CB-CD1 4.03Å; I14-L45 HydrophobicContact CG2-CB 4.2Å; I14-L45 HydrophobicContact CG2-CD1 4.33Å; L15-L45 HydrophobicContact CB-CD2 4.16Å; L15-L45 HydrophobicContact CD1-CB 4.45Å; L15-L45 HydrophobicContact CD1-CD2 3.92Å; L15-L45 HydrophobicContact CD2-CD2 3.97Å; L15-L45 HydrophobicContact CG-CD2 4.24Å; N41-L45 WeakPolarHBondContact O-CB 3.31Å; N41-L45 PolarHBondContact O-N 3.17Å; S43-L45 PolarHBondContact O-N 3.26Å; L45-E47 VanDerWaalsContact C-N 3.26Å; L45-E47 PolarHBondContact O-N 3.09Å; L45-Q48 PolarHBondContact O-N 3.39Å; L45-L49 HydrophobicContact CD1-CD1 3.82Å; L45-L49 HydrophobicContact CD1-CG 3.96Å; L45-L49 HydrophobicContact CD2-CD1 4.32Å; L45-L49 HydrophobicContact CG-CD1 3.76Å; L45-L49 HydrophobicContact CG-CG 4.27Å; L45-L49 WeakPolarHBondContact O-CB 3.43Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 2.99Å; L45-E86 HydrophobicContact CD2-CB 4.39Å; L45-L90 HydrophobicContact CD1-CD1 4.5Å; L45-L90 HydrophobicContact CD2-CD1 3.95Å
46L84.3Confident82.1Confident36 Ų3656.3 Ų56.319%0.18833%0.329CS..Hα-helixtrans-69.1-24.2-176.1-70.3173.7000113.1R42 S43 R50R42-L46 HydrophobicContact CG-CD1 3.9Å; R42-L46 HydrophobicContact CG-CG 4.45Å; R42-L46 WeakPolarHBondContact O-CB 3.49Å; R42-L46 VanDerWaalsContact O-CG 3.31Å; R42-L46 WeakPolarHBondContact O-CG 3.49Å; R42-L46 PolarHBondContact O-N 2.83Å; S43-L46 PolarHBondContact O-N 2.66Å; L46-R50 VanDerWaalsContact O-CD 3.24Å; L46-R50 WeakPolarHBondContact O-CD 3.32Å; L46-R50 VanDerWaalsContact O-CG 3.26Å; L46-R50 WeakPolarHBondContact O-CG 3.42Å
47E84.8Confident82Confident130 Ų13057.9 Ų57.961%0.60732%0.321SS*.Hα-helixtrans-76.1-49.2170.9-175.3169.9-163.100111.3S43 V44 L45 L49 R50 S51S43-E47 WeakPolarHBondContact O-CB 3.34Å; S43-E47 PolarHBondContact O-N 3.25Å; V44-E47 PolarHBondContact O-N 3.12Å; L45-E47 VanDerWaalsContact C-N 3.26Å; L45-E47 PolarHBondContact O-N 3.09Å; E47-L49 PolarHBondContact O-N 3.11Å; E47-R50 WeakPolarHBondContact O-CA 3.5Å; E47-R50 WeakPolarHBondContact O-CB 3.49Å; E47-R50 PolarHBondContact O-N 3.39Å; E47-S51 PolarHBondContact O-N 3.03Å; E47-S51 PolarHBondContact O-OG 3.11Å
48Q82.9Confident81.9Confident64 Ų6456 Ų5630%0.29931%0.306SS..Hα-helixtrans-65.3-37-179.8-71.7177.8-15.500112.5I14 V44 L45 R50 S51 D52 L55I14-Q48 VanDerWaalsContact CD1-OE1 3.23Å; V44-Q48 HydrophobicContact CG1-CG 4.4Å; V44-Q48 WeakPolarHBondContact O-CB 3.21Å; V44-Q48 WeakPolarHBondContact O-CG 3.33Å; V44-Q48 PolarHBondContact O-N 2.95Å; L45-Q48 PolarHBondContact O-N 3.39Å; Q48-R50 PolarHBondContact O-N 3.05Å; Q48-R50 VanDerWaalsContact O-N 3.12Å; Q48-S51 PolarHBondContact O-N 3.49Å; Q48-D52 VanDerWaalsContact O-CB 3.22Å; Q48-D52 WeakPolarHBondContact O-CB 3.41Å; Q48-D52 PolarHBondContact O-N 3.31Å; Q48-L55 HydrophobicContact CB-CD1 4.01Å
49L83Confident81.9Confident17 Ų1756.4 Ų56.49%0.08931%0.31CS..Hα-helixtrans-63.4-13.6171.5-71.5173.7000114A11 L45 E47 L55 A59A11-L49 HydrophobicContact CB-CD2 4.46Å; L45-L49 HydrophobicContact CD1-CD1 3.82Å; L45-L49 HydrophobicContact CD1-CG 3.96Å; L45-L49 HydrophobicContact CD2-CD1 4.32Å; L45-L49 HydrophobicContact CG-CD1 3.76Å; L45-L49 HydrophobicContact CG-CG 4.27Å; L45-L49 WeakPolarHBondContact O-CB 3.43Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 2.99Å; E47-L49 PolarHBondContact O-N 3.11Å; L49-L55 HydrophobicContact CD2-CB 4.17Å; L49-L55 HydrophobicContact CD2-CD1 4.48Å; L49-A59 HydrophobicContact CB-CB 4.37Å; L49-A59 HydrophobicContact CD2-CB 4.04Å
50R81.3Confident81.9Confident215 Ų21562.7 Ų62.781%0.81133%0.325SS*.Hα-helixtrans-104.1-31.7176.5-68.1171.8179.5175-0.1113.3L46 E47 Q48L46-R50 VanDerWaalsContact O-CD 3.24Å; L46-R50 WeakPolarHBondContact O-CD 3.32Å; L46-R50 VanDerWaalsContact O-CG 3.26Å; L46-R50 WeakPolarHBondContact O-CG 3.42Å; E47-R50 WeakPolarHBondContact O-CA 3.5Å; E47-R50 WeakPolarHBondContact O-CB 3.49Å; E47-R50 PolarHBondContact O-N 3.39Å; Q48-R50 PolarHBondContact O-N 3.05Å; Q48-R50 VanDerWaalsContact O-N 3.12Å
51S77.4Confident81.8Confident88 Ų8862.2 Ų62.262%0.61532%0.317SS*.Hα-helixtrans-103.9-27.1-172.562.40000114.4E47 Q48E47-S51 PolarHBondContact O-N 3.03Å; E47-S51 PolarHBondContact O-OG 3.11Å; Q48-S51 PolarHBondContact O-N 3.49Å
52D78.3Confident81.8Confident66 Ų6662.3 Ų62.335%0.35332%0.317SS..  trans-88.3120.4-175.9-161.3-34.3000111.6Q48 S54 L55Q48-D52 VanDerWaalsContact O-CB 3.22Å; Q48-D52 WeakPolarHBondContact O-CB 3.41Å; Q48-D52 PolarHBondContact O-N 3.31Å; D52-S54 PolarHBondContact O-N 3.45Å; D52-S54 VanDerWaalsContact OD1-CB 3.3Å; D52-S54 WeakPolarHBondContact OD1-CB 3.3Å; D52-S54 PolarHBondContact OD1-N 3.2Å; D52-S54 PolarHBondContact OD1-OG 2.98Å; D52-S54 PolarHBondContact OD2-OG 3.47Å; D52-L55 HydrophobicContact CB-CD1 4.33Å; D52-L55 HydrophobicContact CB-CG 4.28Å; D52-L55 PolarHBondContact O-N 3.42Å
53G70.8Confident81.8Confident53 Ų5363.9 Ų63.955%0.54633%0.329SS..G310 helixtrans-61.5-26.5174.800000113.8
54S74.2Confident81.8Confident70 Ų7065.6 Ų65.649%0.4933%0.33SS..G310 helixtrans-80.7-11.7-177.971.70000114.6E7 D52E7-S54 VanDerWaalsContact CG-O 3.25Å; E7-S54 WeakPolarHBondContact CG-O 3.45Å; D52-S54 PolarHBondContact O-N 3.45Å; D52-S54 VanDerWaalsContact OD1-CB 3.3Å; D52-S54 WeakPolarHBondContact OD1-CB 3.3Å; D52-S54 PolarHBondContact OD1-N 3.2Å; D52-S54 PolarHBondContact OD1-OG 2.98Å; D52-S54 PolarHBondContact OD2-OG 3.47Å
55L80.1Confident81.6Confident5 Ų563.8 Ų63.83%0.02632%0.319CS..G310 helixtrans-107.14.9178.7-59.8-179.5000113.4S10 I14 Q48 L49 D52 R57 A58 A59S10-L55 VanDerWaalsContact OG-CD2 3.28Å; S10-L55 WeakPolarHBondContact OG-CD2 3.46Å; I14-L55 HydrophobicContact CD1-CD1 3.92Å; Q48-L55 HydrophobicContact CB-CD1 4.01Å; L49-L55 HydrophobicContact CD2-CB 4.17Å; L49-L55 HydrophobicContact CD2-CD1 4.48Å; D52-L55 HydrophobicContact CB-CD1 4.33Å; D52-L55 HydrophobicContact CB-CG 4.28Å; D52-L55 PolarHBondContact O-N 3.42Å; L55-R57 VanDerWaalsContact C-N 3.26Å; L55-R57 PolarHBondContact O-N 3.43Å; L55-A58 PolarHBondContact O-N 2.89Å; L55-A59 WeakPolarHBondContact O-CB 3.39Å; L55-A59 PolarHBondContact O-N 3.24Å
56Q81.3Confident81.6Confident102 Ų10267.1 Ų67.148%0.47733%0.333SS..Hα-helixtrans-62.6-27.5-172.9-70.3-173.18.200114.1R60Q56-R60 WeakPolarHBondContact O-CG 3.47Å; Q56-R60 PolarHBondContact O-N 3.32Å
57R78.4Confident81.4Confident98 Ų9868.7 Ų68.737%0.3736%0.358SS..Hα-helixtrans-78.8-42.6178.5-40.5-177.1-175.2136.4-17.5110E3 M4 E7 L55 A59 R60 L61E3-R57 IonicContact OE2-CZ 3.57Å; E3-R57 IonicContact OE2-NH1 2.76Å; E3-R57 PolarHBondContact OE2-NH1 3.45Å; E3-R57 IonicContact OE2-NH2 3.3Å; E3-R57 PolarHBondContact OE2-NH2 3.26Å; M4-R57 HydrophobicContact CE-CB 4.25Å; M4-R57 HydrophobicContact CE-CG 4.44Å; M4-R57 HydrophobicContact CG-CB 4.24Å; E7-R57 WeakPolarHBondContact OE1-CD 3.45Å; E7-R57 IonicContact OE1-CZ 2.96Å; E7-R57 IonicContact OE1-NE 3.36Å; E7-R57 IonicContact OE1-NH1 2.77Å; E7-R57 PolarHBondContact OE1-NH1 3.12Å; E7-R57 WeakPolarHBondContact OE2-CB 3.35Å; E7-R57 VanDerWaalsContact OE2-CG 3.28Å; E7-R57 WeakPolarHBondContact OE2-CG 3.15Å; E7-R57 PolarHBondContact OE2-N 3.27Å; L55-R57 VanDerWaalsContact C-N 3.26Å; L55-R57 PolarHBondContact O-N 3.43Å; R57-A59 VanDerWaalsContact C-N 3.32Å; R57-A59 PolarHBondContact O-N 3.22Å; R57-R60 PolarHBondContact O-N 3.29Å; R57-L61 PolarHBondContact O-N 3.07Å; R57-L61 VanDerWaalsContact O-N 3.13Å
58A81Confident81.2Confident2 Ų268.3 Ų68.32%0.01736%0.356CS..Hα-helixtrans-60.9-36.8171.400000113.2E7 I8 L55 R62E7-A58 HydrophobicContact CB-CB 3.97Å; I8-A58 HydrophobicContact CG1-CB 4.03Å; L55-A58 PolarHBondContact O-N 2.89Å; A58-R62 VanDerWaalsContact O-CB 3.31Å; A58-R62 WeakPolarHBondContact O-CB 3.43Å; A58-R62 PolarHBondContact O-N 3.1Å
59A83.6Confident81.1Confident13 Ų1365.8 Ų65.811%0.10735%0.346CS..Hα-helixtrans-62-44.817500000112.3L49 L55 R57 R62 D63L49-A59 HydrophobicContact CB-CB 4.37Å; L49-A59 HydrophobicContact CD2-CB 4.04Å; L55-A59 WeakPolarHBondContact O-CB 3.39Å; L55-A59 PolarHBondContact O-N 3.24Å; R57-A59 VanDerWaalsContact C-N 3.32Å; R57-A59 PolarHBondContact O-N 3.22Å; A59-R62 PolarHBondContact O-N 3.28Å; A59-D63 PolarHBondContact O-N 3.44Å
60R84.7Confident80.8Confident158 Ų15873.1 Ų73.160%0.59639%0.385SS*.Hα-helixtrans-61.3-53.5176.3-69172.5-163.1-165.84.5111.8Q56 R57 R62 D63 E64Q56-R60 WeakPolarHBondContact O-CG 3.47Å; Q56-R60 PolarHBondContact O-N 3.32Å; R57-R60 PolarHBondContact O-N 3.29Å; R60-R62 PolarHBondContact O-N 2.72Å; R60-D63 PolarHBondContact O-N 3.33Å; R60-E64 WeakPolarHBondContact O-CB 3.27Å; R60-E64 WeakPolarHBondContact O-CG 3.2Å; R60-E64 PolarHBondContact O-N 2.93Å
61L82.5Confident80.7Confident27 Ų2765.2 Ų65.214%0.14136%0.356CS..Hα-helixtrans-60.3-32.5179.7-67.6165000112.3I8 R57 A65 A93 H97I8-L61 HydrophobicContact CD1-CD1 3.91Å; I8-L61 HydrophobicContact CG1-CD1 4.47Å; R57-L61 PolarHBondContact O-N 3.07Å; R57-L61 VanDerWaalsContact O-N 3.13Å; L61-A65 VanDerWaalsContact O-CB 3.23Å; L61-A65 WeakPolarHBondContact O-CB 3.27Å; L61-A65 PolarHBondContact O-N 2.63Å; L61-A93 HydrophobicContact CB-CB 4.07Å; L61-H97 HydrophobicContact CD1-CB 4.4Å
62R86.5Confident80.7Confident11 Ų1163.3 Ų63.34%0.04234%0.335CS..Hα-helixtrans-68.2-46.5171.9-178.9-172.2149.5-74.7-4.9112.2A58 A59 R60 A65 K66 E86 L89 L90A58-R62 VanDerWaalsContact O-CB 3.31Å; A58-R62 WeakPolarHBondContact O-CB 3.43Å; A58-R62 PolarHBondContact O-N 3.1Å; A59-R62 PolarHBondContact O-N 3.28Å; R60-R62 PolarHBondContact O-N 2.72Å; R62-A65 PolarHBondContact O-N 2.72Å; R62-K66 VanDerWaalsContact O-CB 3.26Å; R62-K66 WeakPolarHBondContact O-CB 3.32Å; R62-K66 PolarHBondContact O-N 3.47Å; R62-E86 IonicContact CZ-OE2 2.59Å; R62-E86 VanDerWaalsContact CZ-OE2 3.24Å; R62-E86 IonicContact NE-OE2 3.51Å; R62-E86 PolarHBondContact NE-OE2 3.42Å; R62-E86 IonicContact NH2-OE1 3.41Å; R62-E86 IonicContact NH2-OE2 3.96Å; R62-E86 PolarHBondContact NH2-OE2 3.28Å; R62-L89 HydrophobicContact CG-CB 4.09Å; R62-L89 HydrophobicContact CG-CD1 4.38Å; R62-L90 HydrophobicContact CB-CD2 4.32Å; R62-L90 HydrophobicContact CG-CD2 4.26Å
63D85.3Confident80Confident80 Ų8061.9 Ų61.943%0.42834%0.336SS..Hα-helixtrans-74-26.2-179-78.3-33.7000112.6A59 R60 K66 G67A59-D63 PolarHBondContact O-N 3.44Å; R60-D63 PolarHBondContact O-N 3.33Å; D63-K66 PolarHBondContact O-N 3.22Å; D63-K66 IonicContact OD1-NZ 3.79Å; D63-G67 PolarHBondContact O-N 3.42Å
64E84.5Confident79.6Confident104 Ų10462.3 Ų62.349%0.48634%0.34SS..Hα-helixtrans-66.6-52.2166.8-72.4159.6-158.300111R60 K66 G67 E68R60-E64 WeakPolarHBondContact O-CB 3.27Å; R60-E64 WeakPolarHBondContact O-CG 3.2Å; R60-E64 PolarHBondContact O-N 2.93Å; E64-K66 PolarHBondContact O-N 2.85Å; E64-K66 VanDerWaalsContact O-N 3.12Å; E64-G67 PolarHBondContact O-N 2.89Å; E64-E68 PolarHBondContact O-N 3.36Å
65A83.8Confident78.8Confident1 Ų167.7 Ų67.71%0.00836%0.358CS..Hα-helixtrans-60-23.7174.500000113.1L61 R62 A69 L92 A93L61-A65 VanDerWaalsContact O-CB 3.23Å; L61-A65 WeakPolarHBondContact O-CB 3.27Å; L61-A65 PolarHBondContact O-N 2.63Å; R62-A65 PolarHBondContact O-N 2.72Å; A65-A69 WeakPolarHBondContact O-CB 3.49Å; A65-L92 HydrophobicContact CB-CB 4.28Å; A65-A93 HydrophobicContact CB-CB 4.41Å
66K85Confident78Confident70 Ų7068.7 Ų68.730%0.30436%0.364SS..Hα-helixtrans-82.7-34.8173176.7-179.6159.7-172.80113.1R62 D63 E64 E68 A69 Y72 L89R62-K66 VanDerWaalsContact O-CB 3.26Å; R62-K66 WeakPolarHBondContact O-CB 3.32Å; R62-K66 PolarHBondContact O-N 3.47Å; D63-K66 PolarHBondContact O-N 3.22Å; D63-K66 IonicContact OD1-NZ 3.79Å; E64-K66 PolarHBondContact O-N 2.85Å; E64-K66 VanDerWaalsContact O-N 3.12Å; K66-E68 PolarHBondContact O-N 3.16Å; K66-A69 WeakPolarHBondContact O-CB 3.5Å; K66-A69 PolarHBondContact O-N 3.08Å; K66-A69 VanDerWaalsContact O-N 3.09Å; K66-Y72 HydrophobicContact CD-CD1 4.3Å; K66-Y72 HydrophobicContact CD-CE1 4.13Å; K66-Y72 HydrophobicContact CD-CE2 4.37Å; K66-Y72 VanDerWaalsContact CE-CE1 3.49Å; K66-Y72 HydrophobicContact CG-CD1 4.11Å; K66-Y72 HydrophobicContact CG-CD2 4.3Å; K66-Y72 HydrophobicContact CG-CE1 4.44Å; K66-Y72 HydrophobicContact CG-CG 4.07Å; K66-L89 HydrophobicContact CB-CD1 3.89Å; K66-L89 HydrophobicContact CB-CD2 3.85Å; K66-L89 HydrophobicContact CD-CD1 4.14Å; K66-L89 HydrophobicContact CG-CD1 4.14Å
67G80.8Confident77.3Confident68 Ų6870.8 Ų70.870%0.70138%0.379SS*.Hα-helixtrans-62.5-30.6176.100000113D63 E64D63-G67 PolarHBondContact O-N 3.42Å; E64-G67 PolarHBondContact O-N 2.89Å
68E79.5Confident77.3Confident123 Ų12366.2 Ų66.258%0.57536%0.362SS*.THydrogen-bonded Turntrans-93.12.1173.9-66.5173.2-12600114E64 K66 D70 R96E64-E68 PolarHBondContact O-N 3.36Å; K66-E68 PolarHBondContact O-N 3.16Å; E68-D70 PolarHBondContact O-N 3.47Å; E68-R96 IonicContact OE1-CZ 2.92Å; E68-R96 IonicContact OE1-NH1 3.75Å; E68-R96 PolarHBondContact OE1-NH1 3.45Å; E68-R96 IonicContact OE1-NH2 3.38Å; E68-R96 IonicContact OE2-CZ 3.17Å; E68-R96 IonicContact OE2-NH1 2.69Å; E68-R96 PolarHBondContact OE2-NH1 3.17Å; E68-R96 IonicContact OE2-NH2 2.74Å; E68-R96 PolarHBondContact OE2-NH2 3.24Å
69A81.2Confident77.3Confident10 Ų1067.9 Ų67.98%0.08337%0.372CS..  trans-91.483.1-176.700000111.9A65 K66 W71 Y72 L89A65-A69 WeakPolarHBondContact O-CB 3.49Å; K66-A69 WeakPolarHBondContact O-CB 3.5Å; K66-A69 PolarHBondContact O-N 3.08Å; K66-A69 VanDerWaalsContact O-N 3.09Å; A69-W71 HydrophobicContact CB-CD2 4.22Å; A69-W71 HydrophobicContact CB-CZ2 3.94Å; A69-W71 PolarHBondContact O-N 2.86Å; A69-Y72 WeakPolarHBondContact O-CB 3.46Å; A69-Y72 PolarHBondContact O-N 3.06Å; A69-L89 HydrophobicContact CB-CD2 4.2Å
70D75.8Confident77.4Confident171 Ų17167.3 Ų67.391%0.91437%0.367SS*.THydrogen-bonded Turntrans-50.6-16.1173.5-63.9-28.5000114.9E68E68-D70 PolarHBondContact O-N 3.47Å
71W79.9Confident77.4Confident50 Ų5060 Ų6019%0.18934%0.339CS..THydrogen-bonded Turntrans-97.6-7-179.956.2-95000114.1A69 G73 Q85 L88 L89 L92 T189 V193A69-W71 HydrophobicContact CB-CD2 4.22Å; A69-W71 HydrophobicContact CB-CZ2 3.94Å; A69-W71 PolarHBondContact O-N 2.86Å; W71-G73 PolarHBondContact O-N 3.31Å; W71-G73 VanDerWaalsContact O-N 3.14Å; W71-Q85 HydrophobicContact CZ3-CB 4.24Å; W71-Q85 HydrophobicContact CZ3-CG 4.14Å; W71-L88 HydrophobicContact CH2-CB 3.78Å; W71-L88 HydrophobicContact CH2-CD1 4.41Å; W71-L88 HydrophobicContact CZ2-CB 4.4Å; W71-L88 HydrophobicContact CZ3-CB 4.48Å; W71-L88 HydrophobicContact CZ3-CD1 4.46Å; W71-L89 HydrophobicContact CH2-CD2 3.87Å; W71-L89 HydrophobicContact CH2-CG 4.08Å; W71-L89 HydrophobicContact CZ2-CD2 4.06Å; W71-L92 HydrophobicContact CZ2-CD1 3.88Å; W71-T189 HydrophobicContact CB-CG2 3.67Å; W71-T189 HydrophobicContact CD2-CG2 3.42Å; W71-T189 VanDerWaalsContact CD2-CG2 3.42Å; W71-T189 HydrophobicContact CE3-CG2 3.53Å; W71-T189 HydrophobicContact CG-CG2 3.49Å; W71-T189 VanDerWaalsContact CG-CG2 3.49Å; W71-T189 HydrophobicContact CZ3-CG2 4.37Å; W71-V193 HydrophobicContact CZ2-CG2 3.94Å
72Y77.6Confident77.5Confident47 Ų4758.7 Ų58.718%0.18433%0.333CS..  trans-80.195.1-178.9-171.5-82.4000110.9K66 A69 Q85 L89K66-Y72 HydrophobicContact CD-CD1 4.3Å; K66-Y72 HydrophobicContact CD-CE1 4.13Å; K66-Y72 HydrophobicContact CD-CE2 4.37Å; K66-Y72 VanDerWaalsContact CE-CE1 3.49Å; K66-Y72 HydrophobicContact CG-CD1 4.11Å; K66-Y72 HydrophobicContact CG-CD2 4.3Å; K66-Y72 HydrophobicContact CG-CE1 4.44Å; K66-Y72 HydrophobicContact CG-CG 4.07Å; A69-Y72 WeakPolarHBondContact O-CB 3.46Å; A69-Y72 PolarHBondContact O-N 3.06Å; Y72-Q85 HydrophobicContact CD2-CB 4.49Å; Y72-Q85 HydrophobicContact CE2-CB 4.34Å; Y72-L89 HydrophobicContact CD2-CD1 3.7Å; Y72-L89 HydrophobicContact CD2-CD2 4.48Å; Y72-L89 HydrophobicContact CD2-CG 4.28Å; Y72-L89 HydrophobicContact CE2-CD1 3.57Å
73G64.5Low77.6Confident36 Ų3658.2 Ų58.237%0.37133%0.331SS..  trans-76.2136.616300000111.2W71 Q85W71-G73 PolarHBondContact O-N 3.31Å; W71-G73 VanDerWaalsContact O-N 3.14Å; G73-Q85 PolarHBondContact O-NE2 3.32Å
74G61.6Low77.8Confident62 Ų6254.4 Ų54.464%0.63931%0.31SS*.SBendtrans-71.8148.1167.200000111.9
75E56.7Low78Confident184 Ų18449.5 Ų49.586%0.8629%0.288SS*.  trans32.280.8173.7-65.3-173.1170.500116.2
76T63.9Low78.2Confident26 Ų2649.5 Ų49.516%0.1629%0.287CS..  trans-85.8135.6163.4610000110.6D78 S82T76-D78 PolarHBondContact O-N 3.16Å; T76-D78 VanDerWaalsContact O-N 3.08Å; T76-D78 PolarHBondContact OG1-O 2.94Å; T76-S82 PolarHBondContact OG1-OG 3.48Å
77D66.2Low78.4Confident145 Ų14546.3 Ų46.378%0.77527%0.274SS*.SBendtrans-57.2-24.6174.4-59.2-46.9000113.4V79D77-V79 PolarHBondContact O-N 3.33Å
78D78.9Confident78.9Confident2 Ų243 Ų431%0.01124%0.24CC..  trans-76.299.8175.7-169.2-32.1000111.5T76 T80 W81 S82 R186T76-D78 PolarHBondContact O-N 3.16Å; T76-D78 VanDerWaalsContact O-N 3.08Å; T76-D78 PolarHBondContact OG1-O 2.94Å; D78-T80 PolarHBondContact O-N 2.68Å; D78-T80 WeakPolarHBondContact OD1-CA 3.44Å; D78-T80 WeakPolarHBondContact OD1-CB 3.31Å; D78-T80 PolarHBondContact OD1-N 3.09Å; D78-T80 PolarHBondContact OD1-OG1 3.41Å; D78-W81 HydrophobicContact CB-CB 4.03Å; D78-W81 PolarHBondContact O-N 3.37Å; D78-W81 PolarHBondContact OD1-N 3.47Å; D78-S82 WeakPolarHBondContact O-CB 3.16Å; D78-S82 PolarHBondContact O-N 3.2Å; D78-R186 IonicContact OD2-CZ 3.18Å; D78-R186 IonicContact OD2-NH1 3.21Å; D78-R186 PolarHBondContact OD2-NH1 2.91Å; D78-R186 IonicContact OD2-NH2 2.98Å
79V81.8Confident79.4Confident38 Ų3837.2 Ų37.223%0.2321%0.213CC..Hα-helixtrans-59-32.8175.8179.70000112H35 L38 D77 F83H35-V79 VanDerWaalsContact CE1-CG2 3.47Å; H35-V79 WeakPolarHBondContact CE1-CG2 3.39Å; L38-V79 HydrophobicContact CB-CG1 4.48Å; D77-V79 PolarHBondContact O-N 3.33Å; V79-F83 WeakPolarHBondContact O-CB 3.27Å; V79-F83 PolarHBondContact O-N 3.31Å
80T84.1Confident79.8Confident1 Ų136.8 Ų36.81%0.00621%0.209CC..Hα-helixtrans-72-40-179.676.80000111.5L38 D78 F83 V84L38-T80 HydrophobicContact CD1-CG2 4.31Å; D78-T80 PolarHBondContact O-N 2.68Å; D78-T80 WeakPolarHBondContact OD1-CA 3.44Å; D78-T80 WeakPolarHBondContact OD1-CB 3.31Å; D78-T80 PolarHBondContact OD1-N 3.09Å; D78-T80 PolarHBondContact OD1-OG1 3.41Å; T80-F83 PolarHBondContact O-N 2.88Å; T80-V84 WeakPolarHBondContact O-CG2 3.29Å; T80-V84 PolarHBondContact O-N 2.95Å; T80-V84 VanDerWaalsContact O-N 3.13Å
81W85.5Confident80.6Confident3 Ų328.7 Ų28.71%0.01117%0.166CC..Hα-helixtrans-68.7-45173.2-179.9-108.7000111.5D78 F83 V84 Q85 R186 T189 T190D78-W81 HydrophobicContact CB-CB 4.03Å; D78-W81 PolarHBondContact O-N 3.37Å; D78-W81 PolarHBondContact OD1-N 3.47Å; W81-F83 VanDerWaalsContact C-N 3.27Å; W81-F83 PolarHBondContact O-N 3.12Å; W81-V84 HydrophobicContact CE3-CB 4.38Å; W81-V84 HydrophobicContact CE3-CG1 4.31Å; W81-V84 HydrophobicContact CZ3-CG1 4.05Å; W81-V84 WeakPolarHBondContact O-CB 3.21Å; W81-V84 PolarHBondContact O-N 3.17Å; W81-Q85 VanDerWaalsContact CD1-OE1 3.28Å; W81-Q85 HydrophobicContact CD2-CG 4.39Å; W81-Q85 HydrophobicContact CZ2-CG 4.13Å; W81-Q85 VanDerWaalsContact NE1-CD 3.32Å; W81-Q85 WeakPolarHBondContact O-CG 3.4Å; W81-Q85 PolarHBondContact O-N 3.38Å; W81-R186 HydrophobicContact CD2-CB 4.46Å; W81-R186 HydrophobicContact CD2-CG 3.9Å; W81-R186 HydrophobicContact CE3-CB 3.94Å; W81-R186 HydrophobicContact CE3-CG 3.85Å; W81-R186 HydrophobicContact CH2-CB 3.77Å; W81-R186 HydrophobicContact CH2-CG 4.05Å; W81-R186 HydrophobicContact CZ2-CB 4.29Å; W81-R186 HydrophobicContact CZ2-CG 4.09Å; W81-R186 HydrophobicContact CZ3-CB 3.56Å; W81-R186 HydrophobicContact CZ3-CG 3.93Å; W81-T189 HydrophobicContact CH2-CG2 4.31Å; W81-T189 HydrophobicContact CZ2-CG2 4.44Å; W81-T190 WeakPolarHBondContact CZ3-OG1 3.48Å
82S85.5Confident81.1Confident1 Ų126.9 Ų26.91%0.00716%0.16CC..Hα-helixtrans-57.1-37.8174.4-98.50000113R42 T76 D78 E86R42-S82 PolarHBondContact NH1-OG 3.25Å; T76-S82 PolarHBondContact OG1-OG 3.48Å; D78-S82 WeakPolarHBondContact O-CB 3.16Å; D78-S82 PolarHBondContact O-N 3.2Å; S82-E86 PolarHBondContact O-N 2.87Å
83F88Confident81.6Confident0 Ų024.7 Ų24.70%015%0.152CC..Hα-helixtrans-64.5-46.3172.2-178.3-87000111.9L15 L38 N41 V79 T80 W81 Q85 E86 C87 F143 L147L15-F83 HydrophobicContact CD1-CD2 3.78Å; L15-F83 HydrophobicContact CD1-CE2 3.48Å; L15-F83 VanDerWaalsContact CD1-CE2 3.48Å; L15-F83 HydrophobicContact CD1-CZ 4.19Å; L15-F83 HydrophobicContact CG-CD2 4.41Å; L15-F83 HydrophobicContact CG-CE2 3.79Å; L15-F83 HydrophobicContact CG-CZ 3.98Å; L15-F83 VanDerWaalsContact O-CE2 3.31Å; L15-F83 WeakPolarHBondContact O-CE2 3.42Å; L15-F83 WeakPolarHBondContact O-CZ 3.29Å; L38-F83 HydrophobicContact CB-CD2 4.06Å; L38-F83 HydrophobicContact CB-CG 4.35Å; L38-F83 HydrophobicContact CD2-CD1 3.92Å; L38-F83 HydrophobicContact CD2-CD2 3.76Å; L38-F83 HydrophobicContact CD2-CE1 3.81Å; L38-F83 HydrophobicContact CD2-CE2 3.64Å; L38-F83 HydrophobicContact CD2-CG 3.9Å; L38-F83 HydrophobicContact CD2-CZ 3.67Å; L38-F83 WeakPolarHBondContact O-CD2 3.5Å; N41-F83 HydrophobicContact CB-CE2 4.04Å; V79-F83 WeakPolarHBondContact O-CB 3.27Å; V79-F83 PolarHBondContact O-N 3.31Å; T80-F83 PolarHBondContact O-N 2.88Å; W81-F83 VanDerWaalsContact C-N 3.27Å; W81-F83 PolarHBondContact O-N 3.12Å; F83-Q85 VanDerWaalsContact C-N 3.33Å; F83-Q85 PolarHBondContact O-N 2.87Å; F83-E86 PolarHBondContact O-N 3.09Å; F83-C87 VanDerWaalsContact CE1-SG 3.52Å; F83-C87 PolarHBondContact O-N 3.45Å; F83-C87 VanDerWaalsContact O-N 3.11Å; F83-C87 PolarHBondContact O-SG 3.18Å; F83-F143 HydrophobicContact CE1-CB 4.04Å; F83-F143 HydrophobicContact CE1-CD1 4.25Å; F83-F143 HydrophobicContact CE1-CG 4.06Å; F83-L147 HydrophobicContact CD1-CD1 3.99Å; F83-L147 HydrophobicContact CE1-CD1 4.37Å
84V88.9Confident82.8Confident0 Ų023 Ų230%013%0.134CC..Hα-helixtrans-60-40.9176.31710000111.5T80 W81 E86 C87 L88 L147T80-V84 WeakPolarHBondContact O-CG2 3.29Å; T80-V84 PolarHBondContact O-N 2.95Å; T80-V84 VanDerWaalsContact O-N 3.13Å; W81-V84 HydrophobicContact CE3-CB 4.38Å; W81-V84 HydrophobicContact CE3-CG1 4.31Å; W81-V84 HydrophobicContact CZ3-CG1 4.05Å; W81-V84 WeakPolarHBondContact O-CB 3.21Å; W81-V84 PolarHBondContact O-N 3.17Å; V84-E86 PolarHBondContact O-N 3.08Å; V84-C87 WeakPolarHBondContact O-CB 3.42Å; V84-C87 PolarHBondContact O-N 2.92Å; V84-L88 HydrophobicContact CG1-CD1 3.93Å; V84-L88 HydrophobicContact CG1-CG 4.08Å; V84-L88 WeakPolarHBondContact O-CB 3.36Å; V84-L88 VanDerWaalsContact O-CG 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.49Å; V84-L88 PolarHBondContact O-N 2.99Å; V84-L147 HydrophobicContact CG2-CB 3.42Å; V84-L147 VanDerWaalsContact CG2-CB 3.42Å; V84-L147 HydrophobicContact CG2-CD1 4.3Å
85Q88.3Confident84.2Confident2 Ų220.5 Ų20.51%0.00911%0.107CC..Hα-helixtrans-58.1-44.2177.4-70.3177-83.700112.1W71 Y72 G73 W81 F83 L88 L89W71-Q85 HydrophobicContact CZ3-CB 4.24Å; W71-Q85 HydrophobicContact CZ3-CG 4.14Å; Y72-Q85 HydrophobicContact CD2-CB 4.49Å; Y72-Q85 HydrophobicContact CE2-CB 4.34Å; G73-Q85 PolarHBondContact O-NE2 3.32Å; W81-Q85 VanDerWaalsContact CD1-OE1 3.28Å; W81-Q85 HydrophobicContact CD2-CG 4.39Å; W81-Q85 HydrophobicContact CZ2-CG 4.13Å; W81-Q85 VanDerWaalsContact NE1-CD 3.32Å; W81-Q85 WeakPolarHBondContact O-CG 3.4Å; W81-Q85 PolarHBondContact O-N 3.38Å; F83-Q85 VanDerWaalsContact C-N 3.33Å; F83-Q85 PolarHBondContact O-N 2.87Å; Q85-L88 PolarHBondContact O-N 3.21Å; Q85-L89 WeakPolarHBondContact O-CG 3.45Å; Q85-L89 PolarHBondContact O-N 3.07Å
86E88.5Confident85.7Confident0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-67.8-38.8177.1-56.1-65.8171.200111.9L15 R42 L45 R62 S82 F83 V84 L88 L89 L90L15-E86 HydrophobicContact CD2-CB 4.01Å; R42-E86 HydrophobicContact CG-CG 4.15Å; R42-E86 IonicContact CZ-OE1 3.81Å; R42-E86 IonicContact NE-OE1 3.53Å; R42-E86 PolarHBondContact NE-OE1 3.29Å; R42-E86 IonicContact NH2-OE1 2.86Å; R42-E86 PolarHBondContact NH2-OE1 3.36Å; R42-E86 VanDerWaalsContact NH2-OE1 3.1Å; L45-E86 HydrophobicContact CD2-CB 4.39Å; R62-E86 IonicContact CZ-OE2 2.59Å; R62-E86 VanDerWaalsContact CZ-OE2 3.24Å; R62-E86 IonicContact NE-OE2 3.51Å; R62-E86 PolarHBondContact NE-OE2 3.42Å; R62-E86 IonicContact NH2-OE1 3.41Å; R62-E86 IonicContact NH2-OE2 3.96Å; R62-E86 PolarHBondContact NH2-OE2 3.28Å; S82-E86 PolarHBondContact O-N 2.87Å; F83-E86 PolarHBondContact O-N 3.09Å; V84-E86 PolarHBondContact O-N 3.08Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.44Å; E86-L89 PolarHBondContact O-N 3.2Å; E86-L90 WeakPolarHBondContact O-CG 3.19Å; E86-L90 PolarHBondContact O-N 2.89Å
87C89.6Confident86.9Confident3 Ų314.7 Ų14.72%0.027%0.074CC..Hα-helixtrans-59.2-43.7171.9-65.10000111.9L15 F83 V84 L90 L91 V144L15-C87 HydrophobicContact CD2-CB 4.36Å; L15-C87 WeakPolarHBondContact CD2-SG 3.19Å; F83-C87 VanDerWaalsContact CE1-SG 3.52Å; F83-C87 PolarHBondContact O-N 3.45Å; F83-C87 VanDerWaalsContact O-N 3.11Å; F83-C87 PolarHBondContact O-SG 3.18Å; V84-C87 WeakPolarHBondContact O-CB 3.42Å; V84-C87 PolarHBondContact O-N 2.92Å; C87-L90 PolarHBondContact O-N 3.46Å; C87-L91 WeakPolarHBondContact O-CB 3.34Å; C87-L91 VanDerWaalsContact O-CG 3.26Å; C87-L91 WeakPolarHBondContact O-CG 3.32Å; C87-L91 PolarHBondContact O-N 3.34Å; C87-V144 HydrophobicContact CB-CG2 3.43Å; C87-V144 VanDerWaalsContact CB-CG2 3.43Å
88L90.7Very high87.9Confident0 Ų07.8 Ų7.80%04%0.037CC..Hα-helixtrans-65.4-41.4179.7-70.8-179.6000112W71 V84 Q85 E86 L91 L92 V144 T190 V193W71-L88 HydrophobicContact CH2-CB 3.78Å; W71-L88 HydrophobicContact CH2-CD1 4.41Å; W71-L88 HydrophobicContact CZ2-CB 4.4Å; W71-L88 HydrophobicContact CZ3-CB 4.48Å; W71-L88 HydrophobicContact CZ3-CD1 4.46Å; V84-L88 HydrophobicContact CG1-CD1 3.93Å; V84-L88 HydrophobicContact CG1-CG 4.08Å; V84-L88 WeakPolarHBondContact O-CB 3.36Å; V84-L88 VanDerWaalsContact O-CG 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.49Å; V84-L88 PolarHBondContact O-N 2.99Å; Q85-L88 PolarHBondContact O-N 3.21Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.44Å; L88-L91 PolarHBondContact O-N 2.8Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.43Å; L88-V144 HydrophobicContact CD2-CG1 3.55Å; L88-V144 HydrophobicContact CD2-CG2 4.13Å; L88-V144 HydrophobicContact CG-CG1 4.46Å; L88-T190 HydrophobicContact CD2-CG2 4.42Å; L88-V193 HydrophobicContact CB-CG1 4.1Å; L88-V193 HydrophobicContact CD1-CB 4.5Å; L88-V193 HydrophobicContact CD2-CB 3.94Å; L88-V193 HydrophobicContact CD2-CG1 3.69Å; L88-V193 HydrophobicContact CG-CG1 4.38Å
89L90.6Very high88.4Confident0 Ų09.9 Ų9.90%05%0.05CC..Hα-helixtrans-62.7-46.1175.1-71.7179.6000112.3R62 K66 A69 W71 Y72 Q85 E86 L91 L92 A93R62-L89 HydrophobicContact CG-CB 4.09Å; R62-L89 HydrophobicContact CG-CD1 4.38Å; K66-L89 HydrophobicContact CB-CD1 3.89Å; K66-L89 HydrophobicContact CB-CD2 3.85Å; K66-L89 HydrophobicContact CD-CD1 4.14Å; K66-L89 HydrophobicContact CG-CD1 4.14Å; A69-L89 HydrophobicContact CB-CD2 4.2Å; W71-L89 HydrophobicContact CH2-CD2 3.87Å; W71-L89 HydrophobicContact CH2-CG 4.08Å; W71-L89 HydrophobicContact CZ2-CD2 4.06Å; Y72-L89 HydrophobicContact CD2-CD1 3.7Å; Y72-L89 HydrophobicContact CD2-CD2 4.48Å; Y72-L89 HydrophobicContact CD2-CG 4.28Å; Y72-L89 HydrophobicContact CE2-CD1 3.57Å; Q85-L89 WeakPolarHBondContact O-CG 3.45Å; Q85-L89 PolarHBondContact O-N 3.07Å; E86-L89 PolarHBondContact O-N 3.2Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-L91 PolarHBondContact O-N 2.93Å; L89-L92 PolarHBondContact O-N 3.09Å; L89-A93 WeakPolarHBondContact O-CB 3.32Å; L89-A93 PolarHBondContact O-N 3.12Å
90L90.1Very high88.7Confident1 Ų113.1 Ų13.11%0.0056%0.063CC..Hα-helixtrans-65.7-36179.1-69.7175.4000112.5A11 I12 L15 L45 R62 E86 C87 L94A11-L90 HydrophobicContact CB-CD1 4.37Å; A11-L90 HydrophobicContact CB-CD2 4.12Å; I12-L90 HydrophobicContact CD1-CB 4.22Å; I12-L90 HydrophobicContact CG1-CB 3.68Å; I12-L90 HydrophobicContact CG1-CD1 3.96Å; I12-L90 HydrophobicContact CG1-CG 4.38Å; L15-L90 HydrophobicContact CD2-CD1 4.03Å; L45-L90 HydrophobicContact CD1-CD1 4.5Å; L45-L90 HydrophobicContact CD2-CD1 3.95Å; R62-L90 HydrophobicContact CB-CD2 4.32Å; R62-L90 HydrophobicContact CG-CD2 4.26Å; E86-L90 WeakPolarHBondContact O-CG 3.19Å; E86-L90 PolarHBondContact O-N 2.89Å; C87-L90 PolarHBondContact O-N 3.46Å; L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 PolarHBondContact O-N 3.01Å
91L90.9Very high88.7Confident1 Ų114.4 Ų14.41%0.0057%0.069CC..Hα-helixtrans-69.3-36.1174.7-71.5168.7000112.4C87 L88 L89 T95 V137 A140 L141 V144 V197C87-L91 WeakPolarHBondContact O-CB 3.34Å; C87-L91 VanDerWaalsContact O-CG 3.26Å; C87-L91 WeakPolarHBondContact O-CG 3.32Å; C87-L91 PolarHBondContact O-N 3.34Å; L88-L91 PolarHBondContact O-N 2.8Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-L91 PolarHBondContact O-N 2.93Å; L91-T95 WeakPolarHBondContact O-CB 3.37Å; L91-T95 PolarHBondContact O-N 3.36Å; L91-T95 PolarHBondContact O-OG1 2.96Å; L91-V137 HydrophobicContact CD2-CG1 4.13Å; L91-A140 HydrophobicContact CD1-CB 4.5Å; L91-A140 HydrophobicContact CD2-CB 4.42Å; L91-L141 HydrophobicContact CD1-CD2 3.91Å; L91-V144 HydrophobicContact CD1-CG2 4.07Å; L91-V197 HydrophobicContact CB-CG2 3.94Å
92L90.3Very high88.7Confident13 Ų1315.8 Ų15.87%0.0688%0.076CC..Hα-helixtrans-66.4-45.8172.1-77.2170000111.9A65 W71 L88 L89 L94 T95 R96 V193 Q196A65-L92 HydrophobicContact CB-CB 4.28Å; W71-L92 HydrophobicContact CZ2-CD1 3.88Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.43Å; L89-L92 PolarHBondContact O-N 3.09Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 2.56Å; L92-T95 PolarHBondContact O-N 2.93Å; L92-T95 VanDerWaalsContact O-N 3.17Å; L92-R96 VanDerWaalsContact O-CG 3.3Å; L92-R96 WeakPolarHBondContact O-CG 3.5Å; L92-R96 PolarHBondContact O-N 3.03Å; L92-V193 HydrophobicContact CD1-CG1 3.83Å; L92-V193 HydrophobicContact CD1-CG2 4.08Å; L92-V193 HydrophobicContact CD2-CG1 3.88Å; L92-V193 HydrophobicContact CG-CG1 3.6Å; L92-Q196 HydrophobicContact CD2-CB 4.15Å
93A89.9Confident88.7Confident1 Ų120.9 Ų20.91%0.00810%0.098CC..Hα-helixtrans-57.5-44.7175.500000111.5L61 A65 L89 H97L61-A93 HydrophobicContact CB-CB 4.07Å; A65-A93 HydrophobicContact CB-CB 4.41Å; L89-A93 WeakPolarHBondContact O-CB 3.32Å; L89-A93 PolarHBondContact O-N 3.12Å; A93-H97 WeakPolarHBondContact O-CB 3.5Å; A93-H97 PolarHBondContact O-N 2.92Å; A93-H97 VanDerWaalsContact O-N 3.09Å
94L89.8Confident88.6Confident0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-60-46.5173.6-172.961.9000112.1I8 L9 I12 L90 L92 L98 V137I8-L94 HydrophobicContact CB-CD1 4.37Å; I8-L94 HydrophobicContact CD1-CD1 4.46Å; I8-L94 HydrophobicContact CG2-CB 3.97Å; I8-L94 HydrophobicContact CG2-CD1 4.22Å; L9-L94 HydrophobicContact CD2-CD1 4.35Å; L9-L94 HydrophobicContact CD2-CD2 3.91Å; L9-L94 HydrophobicContact CG-CD1 4.22Å; I12-L94 HydrophobicContact CD1-CD2 4.13Å; L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 PolarHBondContact O-N 3.01Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 2.56Å; L94-L98 HydrophobicContact CD1-CD1 3.98Å; L94-L98 HydrophobicContact CD1-CG 4.17Å; L94-L98 HydrophobicContact CG-CD1 3.93Å; L94-L98 HydrophobicContact CG-CG 4.43Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.25Å; L94-L98 PolarHBondContact O-N 3.47Å; L94-V137 HydrophobicContact CD2-CG2 3.77Å
95T90Very high88.4Confident10 Ų1030.1 Ų30.16%0.06114%0.143CC..Hα-helixtrans-64.2-43.2-177.5-54.50000111.4L91 L92 T99 L200 L203L91-T95 WeakPolarHBondContact O-CB 3.37Å; L91-T95 PolarHBondContact O-N 3.36Å; L91-T95 PolarHBondContact O-OG1 2.96Å; L92-T95 PolarHBondContact O-N 2.93Å; L92-T95 VanDerWaalsContact O-N 3.17Å; T95-T99 VanDerWaalsContact O-CB 3.29Å; T95-T99 WeakPolarHBondContact O-CB 3.5Å; T95-T99 PolarHBondContact O-N 3.02Å; T95-T99 PolarHBondContact O-OG1 3.45Å; T95-L200 HydrophobicContact CG2-CB 4.21Å; T95-L203 HydrophobicContact CG2-CD1 4.33Å; T95-L203 WeakPolarHBondContact OG1-CD1 3.4Å
96R88.3Confident88.1Confident79 Ų7936.7 Ų36.730%0.29817%0.174SC..Hα-helixtrans-60.2-56.9176.8-72.2165.1174.7-121.7-8.2111.2E68 L92 L98 T99 E100E68-R96 IonicContact OE1-CZ 2.92Å; E68-R96 IonicContact OE1-NH1 3.75Å; E68-R96 PolarHBondContact OE1-NH1 3.45Å; E68-R96 IonicContact OE1-NH2 3.38Å; E68-R96 IonicContact OE2-CZ 3.17Å; E68-R96 IonicContact OE2-NH1 2.69Å; E68-R96 PolarHBondContact OE2-NH1 3.17Å; E68-R96 IonicContact OE2-NH2 2.74Å; E68-R96 PolarHBondContact OE2-NH2 3.24Å; L92-R96 VanDerWaalsContact O-CG 3.3Å; L92-R96 WeakPolarHBondContact O-CG 3.5Å; L92-R96 PolarHBondContact O-N 3.03Å; R96-L98 PolarHBondContact O-N 3.33Å; R96-T99 WeakPolarHBondContact O-CA 3.39Å; R96-T99 WeakPolarHBondContact O-CB 3.44Å; R96-T99 PolarHBondContact O-N 2.86Å; R96-E100 PolarHBondContact O-N 2.88Å
97H88.9Confident87.9Confident9 Ų944 Ų444%0.04221%0.208CC..Hα-helixtrans-54.9-49.6179.9-179.447.9000112E1 M4 T5 I8 L61 A93 T99 E100 E101E1-H97 PolarHBondContact O-NE2 3.09Å; M4-H97 WeakPolarHBondContact CB-NE2 3.41Å; M4-H97 PolarHBondContact SD-CE1 3.48Å; T5-H97 WeakPolarHBondContact CG2-NE2 3.22Å; T5-H97 PolarHBondContact N-NE2 3.1Å; I8-H97 HydrophobicContact CD1-CB 4Å; L61-H97 HydrophobicContact CD1-CB 4.4Å; A93-H97 WeakPolarHBondContact O-CB 3.5Å; A93-H97 PolarHBondContact O-N 2.92Å; A93-H97 VanDerWaalsContact O-N 3.09Å; H97-T99 VanDerWaalsContact C-N 3.29Å; H97-T99 PolarHBondContact O-N 3.3Å; H97-E100 PolarHBondContact O-N 3Å; H97-E101 WeakPolarHBondContact CE1-CG 3.49Å; H97-E101 IonicContact CE1-OE1 3.07Å; H97-E101 PolarHBondContact CE1-OE1 3.3Å; H97-E101 IonicContact CE1-OE2 3.99Å; H97-E101 IonicContact NE2-OE2 2.68Å; H97-E101 VanDerWaalsContact O-CG 3.24Å; H97-E101 WeakPolarHBondContact O-CG 3.46Å; H97-E101 PolarHBondContact O-N 2.63Å
98L88.2Confident87.3Confident0 Ų046.4 Ų46.40%023%0.228CC..Hα-helixtrans-63.8-31.7177-68.3178.4000113.3T5 L94 R96 L102 P126 L129 L200 L203T5-L98 HydrophobicContact CG2-CD2 3.57Å; L94-L98 HydrophobicContact CD1-CD1 3.98Å; L94-L98 HydrophobicContact CD1-CG 4.17Å; L94-L98 HydrophobicContact CG-CD1 3.93Å; L94-L98 HydrophobicContact CG-CG 4.43Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.25Å; L94-L98 PolarHBondContact O-N 3.47Å; R96-L98 PolarHBondContact O-N 3.33Å; L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 PolarHBondContact O-N 3.41Å; L98-P126 WeakPolarHBondContact CD2-O 3.46Å; L98-L129 HydrophobicContact CD1-CD2 4.44Å; L98-L200 HydrophobicContact CB-CD2 3.51Å; L98-L200 HydrophobicContact CD1-CD2 3.92Å; L98-L200 HydrophobicContact CG-CD2 4.38Å; L98-L203 HydrophobicContact CD1-CD1 4.48Å
99T88.4Confident86.2Confident46 Ų4651.8 Ų51.828%0.28226%0.263SS..Hα-helixtrans-73.8-31.7176.9-58.90000112.1T95 R96 H97 K103T95-T99 VanDerWaalsContact O-CB 3.29Å; T95-T99 WeakPolarHBondContact O-CB 3.5Å; T95-T99 PolarHBondContact O-N 3.02Å; T95-T99 PolarHBondContact O-OG1 3.45Å; R96-T99 WeakPolarHBondContact O-CA 3.39Å; R96-T99 WeakPolarHBondContact O-CB 3.44Å; R96-T99 PolarHBondContact O-N 2.86Å; H97-T99 VanDerWaalsContact C-N 3.29Å; H97-T99 PolarHBondContact O-N 3.3Å; T99-K103 WeakPolarHBondContact O-CG 3.43Å; T99-K103 PolarHBondContact O-N 3.45Å
100E87.6Confident84.8Confident106 Ų10657.2 Ų57.250%0.49530%0.298SS..Hα-helixtrans-75.8-48176-71.9170.5176.400111.4R96 H97 L102 K103 L104R96-E100 PolarHBondContact O-N 2.88Å; H97-E100 PolarHBondContact O-N 3Å; E100-L102 VanDerWaalsContact C-N 3.26Å; E100-L102 PolarHBondContact O-N 2.79Å; E100-K103 WeakPolarHBondContact O-CB 3.46Å; E100-K103 PolarHBondContact O-N 2.77Å; E100-K103 VanDerWaalsContact O-N 3.11Å; E100-L104 WeakPolarHBondContact O-CG 3.42Å; E100-L104 PolarHBondContact O-N 2.7Å
101E84.1Confident83.4Confident28 Ų2861.6 Ų61.613%0.13133%0.327CS..Hα-helixtrans-58.6-38.6173.8-61.5-91.4123.100111.2E1 H97 L104 F105 P126E1-E101 WeakPolarHBondContact CA-OE2 3.43Å; E1-E101 WeakPolarHBondContact CG-OE2 3.49Å; H97-E101 WeakPolarHBondContact CE1-CG 3.49Å; H97-E101 IonicContact CE1-OE1 3.07Å; H97-E101 PolarHBondContact CE1-OE1 3.3Å; H97-E101 IonicContact CE1-OE2 3.99Å; H97-E101 IonicContact NE2-OE2 2.68Å; H97-E101 VanDerWaalsContact O-CG 3.24Å; H97-E101 WeakPolarHBondContact O-CG 3.46Å; H97-E101 PolarHBondContact O-N 2.63Å; E101-L104 PolarHBondContact O-N 3.04Å; E101-F105 WeakPolarHBondContact O-CB 3.46Å; E101-F105 PolarHBondContact O-N 2.83Å; E101-P126 HydrophobicContact CB-CB 3.98Å; E101-P126 HydrophobicContact CB-CG 3.86Å
102L86.3Confident81.3Confident31 Ų3167.2 Ų67.216%0.16237%0.366CS..Hα-helixtrans-67.3-34.5176.7-176.762.9000113L98 E100 Q106 P125 L200L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 PolarHBondContact O-N 3.41Å; E100-L102 VanDerWaalsContact C-N 3.26Å; E100-L102 PolarHBondContact O-N 2.79Å; L102-Q106 VanDerWaalsContact O-CG 3.25Å; L102-Q106 WeakPolarHBondContact O-CG 3.33Å; L102-Q106 PolarHBondContact O-N 3.47Å; L102-Q106 VanDerWaalsContact O-N 3.12Å; L102-P125 HydrophobicContact CD1-CB 4.18Å; L102-L200 HydrophobicContact CD2-CD1 3.82Å
103K86.1Confident79.6Confident108 Ų10870.3 Ų70.347%0.4740%0.402SS..Hα-helixtrans-67.5-48.2171.9-72.7165.9-174.3170.40111T99 E100 F105 Q106 E107T99-K103 WeakPolarHBondContact O-CG 3.43Å; T99-K103 PolarHBondContact O-N 3.45Å; E100-K103 WeakPolarHBondContact O-CB 3.46Å; E100-K103 PolarHBondContact O-N 2.77Å; E100-K103 VanDerWaalsContact O-N 3.11Å; K103-F105 PolarHBondContact O-N 3.2Å; K103-Q106 CarbonylContact O-C 3.35Å; K103-Q106 WeakPolarHBondContact O-CA 3.35Å; K103-Q106 PolarHBondContact O-N 3.5Å; K103-E107 WeakPolarHBondContact O-CB 3.38Å; K103-E107 WeakPolarHBondContact O-CG 3.48Å; K103-E107 PolarHBondContact O-N 2.84Å
104L85.6Confident77.6Confident108 Ų10875.4 Ų75.457%0.56544%0.437SS*.Hα-helixtrans-58.3-38.4177.7-67.2169.8000111.6E100 E101 A108E100-L104 WeakPolarHBondContact O-CG 3.42Å; E100-L104 PolarHBondContact O-N 2.7Å; E101-L104 PolarHBondContact O-N 3.04Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.31Å
105F84Confident75.7Confident87 Ų8782.2 Ų82.238%0.38247%0.473SS..Hα-helixtrans-67.6-31.6173.9-175.4-93.6000113.7E101 K103 P123 P125 P126E101-F105 WeakPolarHBondContact O-CB 3.46Å; E101-F105 PolarHBondContact O-N 2.83Å; K103-F105 PolarHBondContact O-N 3.2Å; F105-P123 HydrophobicContact CE2-CB 4.36Å; F105-P123 HydrophobicContact CE2-CG 4.43Å; F105-P123 HydrophobicContact CZ-CB 4.45Å; F105-P123 HydrophobicContact CZ-CG 4.26Å; F105-P125 HydrophobicContact CD1-CB 4.09Å; F105-P125 HydrophobicContact CE1-CB 3.81Å; F105-P125 HydrophobicContact CZ-CB 4.3Å; F105-P126 HydrophobicContact CB-CG 4.13Å
106Q82.6Confident73.9Confident139 Ų13990.7 Ų90.765%0.6550%0.504SS*.Hα-helixtrans-80.7-29.9176-73172.918.700113.2L102 K103L102-Q106 VanDerWaalsContact O-CG 3.25Å; L102-Q106 WeakPolarHBondContact O-CG 3.33Å; L102-Q106 PolarHBondContact O-N 3.47Å; L102-Q106 VanDerWaalsContact O-N 3.12Å; K103-Q106 CarbonylContact O-C 3.35Å; K103-Q106 WeakPolarHBondContact O-CA 3.35Å; K103-Q106 PolarHBondContact O-N 3.5Å
107E83.6Confident72.4Confident153 Ų15390.8 Ų90.872%0.71551%0.513SS*.Hα-helixtrans-84.9-17177.5-69.3174.3-165.200112.6K103K103-E107 WeakPolarHBondContact O-CB 3.38Å; K103-E107 WeakPolarHBondContact O-CG 3.48Å; K103-E107 PolarHBondContact O-N 2.84Å
108A78.3Confident70.7Confident55 Ų5597 Ų9746%0.45555%0.554SS.*SBendtrans-62.6132.4175.400000111.9L104L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.31Å
109P66.6Low69Low112 Ų112105.7 Ų105.773%0.72760%0.595SS**PPolyproline II helixtrans-65.5142.2178.927.2-34.3000110.9
110P61.4Low67.5Low115 Ų115109.1 Ų109.175%0.74761%0.609SS**PPolyproline II helixtrans-59.6135177.925.3-34.2000110S112P110-S112 PolarHBondContact O-N 3.48Å; P110-S112 VanDerWaalsContact O-N 3.11Å
111P60.1Low66Low93 Ų93108 Ų10860%0.60462%0.617SS**PPolyproline II helixtrans-61.1118.3-167.821.3-33.2000111.8G113P111-G113 PolarHBondContact O-N 2.9Å
112S47.6Very low65.2Low118 Ų118111.6 Ų111.683%0.82564%0.644SS**PPolyproline II helixtrans-56.1125.2178.852.50000110.9P110P110-S112 PolarHBondContact O-N 3.48Å; P110-S112 VanDerWaalsContact O-N 3.11Å
113G55.2Low64.4Low79 Ų79114.4 Ų114.481%0.81466%0.663SS**SBendtrans-70.9129.4-159.700000116.1P111P111-G113 PolarHBondContact O-N 2.9Å
114S47.4Very low63.9Low108 Ų108115.8 Ų115.876%0.75568%0.675SS**SBendtrans-153.5-20.4156.663.50000114.3
115L50.2Low63.6Low142 Ų142112.8 Ų112.874%0.74366%0.662SS**  trans-128.133-170-71.4171.4000115.2T117 M120L115-T117 PolarHBondContact O-N 3.26Å; L115-M120 WeakPolarHBondContact O-CE 3.25Å
116R52.3Low63.3Low189 Ų189110.5 Ų110.571%0.71366%0.656SS**  trans-90.194168.2-75.5-167.4179.5-171.40.5111
117T56.2Low63.2Low80 Ų80104.8 Ų104.849%0.49163%0.63SS.*  trans-70.4151155.852.70000109.4L115 E119 M120L115-T117 PolarHBondContact O-N 3.26Å; T117-E119 PolarHBondContact O-N 2.75Å; T117-E119 VanDerWaalsContact O-N 3.13Å; T117-M120 PolarHBondContact O-N 3.13Å
118P52.3Low63.2Low141 Ų141101.1 Ų101.192%0.91662%0.618SS**THydrogen-bonded Turntrans-67.4-10.2-179.727.8-35.5000114
119E53.4Low63.5Low181 Ų18199.1 Ų99.185%0.84660%0.6SS**THydrogen-bonded Turntrans-88.4-14.1176.6-59.7179.6136.200113.3T117 A121T117-E119 PolarHBondContact O-N 2.75Å; T117-E119 VanDerWaalsContact O-N 3.13Å; E119-A121 PolarHBondContact O-N 2.93Å
120M56.7Low64.4Low119 Ų11996.4 Ų96.459%0.58658%0.583SS**  trans-84.4107.3-172.5-162.716573.800111.6L115 T117L115-M120 WeakPolarHBondContact O-CE 3.25Å; T117-M120 PolarHBondContact O-N 3.13Å
121A55.6Low65.6Low81 Ų8195.7 Ų95.767%0.66958%0.576SS**PPolyproline II helixtrans-56.4149.4176.400000112.4E119E119-A121 PolarHBondContact O-N 2.93Å
122P67.3Low66.8Low105 Ų10595 Ų9568%0.68257%0.574SS**PPolyproline II helixtrans-62.1149.9174.527.7-35.2000111.2L124P122-L124 PolarHBondContact O-N 3.26Å
123P70.1Confident68.7Low89 Ų8991.5 Ų91.558%0.57854%0.544SS*.PPolyproline II helixtrans-60.4135175.826.5-34.2000110.4F105F105-P123 HydrophobicContact CE2-CB 4.36Å; F105-P123 HydrophobicContact CE2-CG 4.43Å; F105-P123 HydrophobicContact CZ-CB 4.45Å; F105-P123 HydrophobicContact CZ-CG 4.26Å
124L74.8Confident70.2Confident137 Ų13791.5 Ų91.572%0.71752%0.523SS*.PPolyproline II helixtrans-69.6138.3175-66172.1000109.8P122P122-L124 PolarHBondContact O-N 3.26Å
125P80.6Confident72.1Confident45 Ų4593.6 Ų93.629%0.29252%0.519SS..PPolyproline II helixtrans-68.7153.4174.226.8-29.9000111.3L102 F105 D127 V128L102-P125 HydrophobicContact CD1-CB 4.18Å; F105-P125 HydrophobicContact CD1-CB 4.09Å; F105-P125 HydrophobicContact CE1-CB 3.81Å; F105-P125 HydrophobicContact CZ-CB 4.3Å; P125-D127 WeakPolarHBondContact CB-OD1 3.49Å; P125-D127 WeakPolarHBondContact CG-OD1 3.36Å; P125-D127 PolarHBondContact O-N 3.14Å; P125-D127 VanDerWaalsContact O-N 3.12Å; P125-V128 HydrophobicContact CG-CG2 3.89Å; P125-V128 WeakPolarHBondContact O-CG2 2.98Å; P125-V128 PolarHBondContact O-N 2.93Å
126P77.5Confident73.9Confident40 Ų4088 Ų8826%0.2649%0.49SS..THydrogen-bonded Turntrans-70-10-168.226.7-35000114.8L98 E101 F105 V128L98-P126 WeakPolarHBondContact CD2-O 3.46Å; E101-P126 HydrophobicContact CB-CB 3.98Å; E101-P126 HydrophobicContact CB-CG 3.86Å; F105-P126 HydrophobicContact CB-CG 4.13Å; P126-V128 VanDerWaalsContact C-N 3.35Å
127D80.3Confident75.7Confident18 Ų1879 Ų7910%0.09646%0.456CS..THydrogen-bonded Turntrans-83.3-5.9176.967.7-30.8000114P125 L129 L200 T202P125-D127 WeakPolarHBondContact CB-OD1 3.49Å; P125-D127 WeakPolarHBondContact CG-OD1 3.36Å; P125-D127 PolarHBondContact O-N 3.14Å; P125-D127 VanDerWaalsContact O-N 3.12Å; D127-L129 PolarHBondContact O-N 3.44Å; D127-L200 HydrophobicContact CB-CD1 4.44Å; D127-T202 HydrophobicContact CB-CG2 4.14Å; D127-T202 PolarHBondContact O-OG1 2.93Å; D127-T202 WeakPolarHBondContact OD2-CG2 3.19Å
128V83.3Confident77.3Confident76 Ų7675.5 Ų75.546%0.46144%0.436SS..  trans-7786.4179.2-177.80000111.4P125 P126P125-V128 HydrophobicContact CG-CG2 3.89Å; P125-V128 WeakPolarHBondContact O-CG2 2.98Å; P125-V128 PolarHBondContact O-N 2.93Å; P126-V128 VanDerWaalsContact C-N 3.35Å
129L84.2Confident79Confident14 Ų1470.2 Ų70.27%0.07341%0.405CS..  trans-67.9135.4173.9-60.3-177.7000112.2L9 L98 D127 Q133 Q134 V137 L203L9-L129 HydrophobicContact CD1-CD2 3.98Å; L98-L129 HydrophobicContact CD1-CD2 4.44Å; D127-L129 PolarHBondContact O-N 3.44Å; L129-Q133 HydrophobicContact CB-CB 4.15Å; L129-Q133 HydrophobicContact CD2-CB 4.45Å; L129-Q134 HydrophobicContact CB-CG 3.92Å; L129-Q134 PolarHBondContact O-NE2 3.05Å; L129-V137 HydrophobicContact CD1-CG2 4.04Å; L129-L203 HydrophobicContact CD1-CD2 4.16Å
130S85.9Confident80.8Confident54 Ų5461.6 Ų61.638%0.37837%0.365SS..  trans-70.9163.9173.768.10000113.1S132 Q133 Q134S130-S132 VanDerWaalsContact C-N 3.25Å; S130-S132 PolarHBondContact O-N 2.99Å; S130-S132 VanDerWaalsContact O-N 3.16Å; S130-S132 PolarHBondContact OG-OG 3.46Å; S130-Q133 WeakPolarHBondContact O-CB 3.25Å; S130-Q133 PolarHBondContact O-N 2.81Å; S130-Q133 VanDerWaalsContact OG-CD 3.27Å; S130-Q133 WeakPolarHBondContact OG-CG 3.45Å; S130-Q133 PolarHBondContact OG-OE1 2.77Å; S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 3.21Å
131V85.8Confident82.4Confident100 Ų10056 Ų5661%0.60634%0.337SS*.Hα-helixtrans-60.1-29.2-174.2-179.20000113.7K135V131-K135 WeakPolarHBondContact O-CG 3.49Å; V131-K135 PolarHBondContact O-N 3.48Å
132S85.4Confident84Confident78 Ų7857.2 Ų57.255%0.54533%0.329SS..Hα-helixtrans-72-48.6172.447.10000111.4S130 Q134 K135 T136S130-S132 VanDerWaalsContact C-N 3.25Å; S130-S132 PolarHBondContact O-N 2.99Å; S130-S132 VanDerWaalsContact O-N 3.16Å; S130-S132 PolarHBondContact OG-OG 3.46Å; S132-Q134 VanDerWaalsContact C-N 3.33Å; S132-Q134 PolarHBondContact O-N 3.05Å; S132-K135 WeakPolarHBondContact O-CB 3.47Å; S132-K135 PolarHBondContact O-N 3Å; S132-T136 PolarHBondContact O-N 3.25Å; S132-T136 VanDerWaalsContact O-N 3.08Å; S132-T136 PolarHBondContact O-OG1 3.02Å
133Q87.5Confident84.9Confident45 Ų4554.9 Ų54.921%0.2131%0.308CS..Hα-helixtrans-60.6-40.8177.8-66.1168.5-49.600111.9L9 L129 S130 K135 T136 V137L9-Q133 HydrophobicContact CD1-CB 3.95Å; L9-Q133 HydrophobicContact CD1-CG 3.75Å; L129-Q133 HydrophobicContact CB-CB 4.15Å; L129-Q133 HydrophobicContact CD2-CB 4.45Å; S130-Q133 WeakPolarHBondContact O-CB 3.25Å; S130-Q133 PolarHBondContact O-N 2.81Å; S130-Q133 VanDerWaalsContact OG-CD 3.27Å; S130-Q133 WeakPolarHBondContact OG-CG 3.45Å; S130-Q133 PolarHBondContact OG-OE1 2.77Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.22Å; Q133-T136 WeakPolarHBondContact O-CB 3.49Å; Q133-T136 PolarHBondContact O-N 2.98Å; Q133-V137 WeakPolarHBondContact O-CG2 3.27Å; Q133-V137 PolarHBondContact O-N 3.42Å
134Q87.6Confident85.9Confident79 Ų7950.6 Ų50.637%0.36928%0.281SS..Hα-helixtrans-60.3-37.8172.5-70.2178.816.900112.4L129 S130 S132 G138 M206L129-Q134 HydrophobicContact CB-CG 3.92Å; L129-Q134 PolarHBondContact O-NE2 3.05Å; S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 3.21Å; S132-Q134 VanDerWaalsContact C-N 3.33Å; S132-Q134 PolarHBondContact O-N 3.05Å; Q134-G138 PolarHBondContact O-N 2.87Å; Q134-M206 HydrophobicContact CB-CE 3.99Å; Q134-M206 HydrophobicContact CB-SD 4.35Å; Q134-M206 HydrophobicContact CG-SD 4.4Å; Q134-M206 WeakPolarHBondContact O-CE 3.33Å
135K87.7Confident86.6Confident152 Ų15244.1 Ų44.166%0.66125%0.247SC*.Hα-helixtrans-66-41.9174.3-73.1170.8-176.7179.60111.6V131 S132 Q133 G138 A139V131-K135 WeakPolarHBondContact O-CG 3.49Å; V131-K135 PolarHBondContact O-N 3.48Å; S132-K135 WeakPolarHBondContact O-CB 3.47Å; S132-K135 PolarHBondContact O-N 3Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.22Å; K135-G138 PolarHBondContact O-N 3.04Å; K135-A139 WeakPolarHBondContact O-CB 3.46Å; K135-A139 PolarHBondContact O-N 3.49Å
136T88.7Confident86.9Confident24 Ų2443.4 Ų43.415%0.14724%0.242CC..Hα-helixtrans-61.9-50.4177-580000112I12 N13 S132 Q133 G138 A139 A140I12-T136 HydrophobicContact CB-CG2 4.11Å; I12-T136 HydrophobicContact CG2-CG2 3.78Å; N13-T136 HydrophobicContact CB-CG2 3.8Å; S132-T136 PolarHBondContact O-N 3.25Å; S132-T136 VanDerWaalsContact O-N 3.08Å; S132-T136 PolarHBondContact O-OG1 3.02Å; Q133-T136 WeakPolarHBondContact O-CB 3.49Å; Q133-T136 PolarHBondContact O-N 2.98Å; T136-G138 VanDerWaalsContact C-N 3.33Å; T136-G138 PolarHBondContact O-N 3.31Å; T136-A139 PolarHBondContact O-N 3.3Å; T136-A140 PolarHBondContact O-N 3.33Å; T136-A140 VanDerWaalsContact O-N 3.12Å
137V89.4Confident87.3Confident0 Ų041.9 Ų41.90%023%0.232CC..Hα-helixtrans-63.2-41175.4176.20000111L9 L91 L94 L129 Q133 A139 A140 L141 L203L9-V137 HydrophobicContact CD2-CG2 3.43Å; L9-V137 VanDerWaalsContact CD2-CG2 3.43Å; L91-V137 HydrophobicContact CD2-CG1 4.13Å; L94-V137 HydrophobicContact CD2-CG2 3.77Å; L129-V137 HydrophobicContact CD1-CG2 4.04Å; Q133-V137 WeakPolarHBondContact O-CG2 3.27Å; Q133-V137 PolarHBondContact O-N 3.42Å; V137-A139 VanDerWaalsContact C-N 3.33Å; V137-A139 PolarHBondContact O-N 3.03Å; V137-A140 PolarHBondContact O-N 3.12Å; V137-L141 HydrophobicContact CG1-CD1 4.01Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CG 3.42Å; V137-L141 PolarHBondContact O-N 2.96Å; V137-L203 HydrophobicContact CG1-CD2 4Å
138G88.9Confident87.4Confident7 Ų741 Ų417%0.07223%0.228CC..Hα-helixtrans-61.9-35.9176.100000113.7Q134 K135 T136 Q142Q134-G138 PolarHBondContact O-N 2.87Å; K135-G138 PolarHBondContact O-N 3.04Å; T136-G138 VanDerWaalsContact C-N 3.33Å; T136-G138 PolarHBondContact O-N 3.31Å; G138-Q142 VanDerWaalsContact O-CB 3.29Å; G138-Q142 WeakPolarHBondContact O-CB 3.36Å; G138-Q142 PolarHBondContact O-N 3.07Å
139A88.6Confident87.6Confident30 Ų3037.4 Ų37.425%0.24821%0.206CC..Hα-helixtrans-67.2-44.8173.600000111.4K135 T136 V137 Q142 F143K135-A139 WeakPolarHBondContact O-CB 3.46Å; K135-A139 PolarHBondContact O-N 3.49Å; T136-A139 PolarHBondContact O-N 3.3Å; V137-A139 VanDerWaalsContact C-N 3.33Å; V137-A139 PolarHBondContact O-N 3.03Å; A139-Q142 PolarHBondContact O-N 3.27Å; A139-F143 VanDerWaalsContact O-CD2 3.24Å; A139-F143 WeakPolarHBondContact O-CD2 3.32Å; A139-F143 PolarHBondContact O-N 2.93Å
140A90.2Very high87.7Confident1 Ų137.5 Ų37.51%0.00821%0.207CC..Hα-helixtrans-60.5-46.8175.900000112.1I12 T16 L91 T136 V137 Q142 F143 V144I12-A140 HydrophobicContact CG2-CB 3.59Å; T16-A140 HydrophobicContact CG2-CB 3.94Å; L91-A140 HydrophobicContact CD1-CB 4.5Å; L91-A140 HydrophobicContact CD2-CB 4.42Å; T136-A140 PolarHBondContact O-N 3.33Å; T136-A140 VanDerWaalsContact O-N 3.12Å; V137-A140 PolarHBondContact O-N 3.12Å; A140-Q142 VanDerWaalsContact C-N 3.33Å; A140-Q142 PolarHBondContact O-N 2.91Å; A140-F143 PolarHBondContact O-N 3.28Å; A140-V144 WeakPolarHBondContact O-CB 3.49Å; A140-V144 VanDerWaalsContact O-CG2 3.29Å; A140-V144 WeakPolarHBondContact O-CG2 3.43Å; A140-V144 PolarHBondContact O-N 2.7Å
141L90.4Very high87.5Confident2 Ų235.2 Ų35.21%0.0119%0.191CC..Hα-helixtrans-60.1-41.9174.3-71.1174.3000111.9L91 V137 F143 V144 V145 L194 M206 V207L91-L141 HydrophobicContact CD1-CD2 3.91Å; V137-L141 HydrophobicContact CG1-CD1 4.01Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CG 3.42Å; V137-L141 PolarHBondContact O-N 2.96Å; L141-F143 PolarHBondContact O-N 3.17Å; L141-V144 PolarHBondContact O-N 3.05Å; L141-V145 WeakPolarHBondContact O-CB 3.12Å; L141-V145 WeakPolarHBondContact O-CG2 3.33Å; L141-V145 PolarHBondContact O-N 3.02Å; L141-L194 HydrophobicContact CD2-CD2 3.7Å; L141-M206 HydrophobicContact CD1-CB 3.99Å; L141-V207 HydrophobicContact CD1-CG2 3.9Å; L141-V207 HydrophobicContact CD2-CG2 3.89Å
142Q88.9Confident87.4Confident105 Ų10531 Ų3149%0.49117%0.165SC..Hα-helixtrans-62.3-41.5176.4-178.8175.7-25.500112G138 A139 A140 S146G138-Q142 VanDerWaalsContact O-CB 3.29Å; G138-Q142 WeakPolarHBondContact O-CB 3.36Å; G138-Q142 PolarHBondContact O-N 3.07Å; A139-Q142 PolarHBondContact O-N 3.27Å; A140-Q142 VanDerWaalsContact C-N 3.33Å; A140-Q142 PolarHBondContact O-N 2.91Å; Q142-S146 WeakPolarHBondContact O-CB 3.44Å; Q142-S146 PolarHBondContact O-N 3.08Å; Q142-S146 PolarHBondContact O-OG 2.64Å
143F88.2Confident87.3Confident56 Ų5627.9 Ų27.925%0.24614%0.142CC..Hα-helixtrans-65.5-47.7173.2-80.7-67.6000112T16 L38 F83 A139 A140 L141 V145 S146 L147T16-F143 HydrophobicContact CG2-CD2 4.01Å; T16-F143 HydrophobicContact CG2-CE2 4.36Å; L38-F143 HydrophobicContact CD2-CE1 4.44Å; F83-F143 HydrophobicContact CE1-CB 4.04Å; F83-F143 HydrophobicContact CE1-CD1 4.25Å; F83-F143 HydrophobicContact CE1-CG 4.06Å; A139-F143 VanDerWaalsContact O-CD2 3.24Å; A139-F143 WeakPolarHBondContact O-CD2 3.32Å; A139-F143 PolarHBondContact O-N 2.93Å; A140-F143 PolarHBondContact O-N 3.28Å; L141-F143 PolarHBondContact O-N 3.17Å; F143-V145 VanDerWaalsContact C-N 3.3Å; F143-V145 PolarHBondContact O-N 3.47Å; F143-S146 PolarHBondContact O-N 3.32Å; F143-L147 HydrophobicContact CD1-CD1 4.17Å; F143-L147 WeakPolarHBondContact O-CB 3.44Å; F143-L147 PolarHBondContact O-N 3.09Å
144V90.3Very high87Confident0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-56.7-42.4178.5167.40000111.6C87 L88 L91 A140 L141 G148 T190 L194C87-V144 HydrophobicContact CB-CG2 3.43Å; C87-V144 VanDerWaalsContact CB-CG2 3.43Å; L88-V144 HydrophobicContact CD2-CG1 3.55Å; L88-V144 HydrophobicContact CD2-CG2 4.13Å; L88-V144 HydrophobicContact CG-CG1 4.46Å; L91-V144 HydrophobicContact CD1-CG2 4.07Å; A140-V144 WeakPolarHBondContact O-CB 3.49Å; A140-V144 VanDerWaalsContact O-CG2 3.29Å; A140-V144 WeakPolarHBondContact O-CG2 3.43Å; A140-V144 PolarHBondContact O-N 2.7Å; L141-V144 PolarHBondContact O-N 3.05Å; V144-G148 WeakPolarHBondContact O-CA 3.23Å; V144-G148 PolarHBondContact O-N 3.37Å; V144-T190 HydrophobicContact CG1-CG2 3.61Å; V144-L194 HydrophobicContact CG1-CD1 4.22Å; V144-L194 HydrophobicContact CG1-CD2 3.95Å; V144-L194 HydrophobicContact CG1-CG 4.14Å
145V88.7Confident86.5Confident1 Ų128.3 Ų28.31%0.00616%0.164CC..Hα-helixtrans-75.2-39178174.80000111.8L141 F143 V149 C150 L194 H211 D214L141-V145 WeakPolarHBondContact O-CB 3.12Å; L141-V145 WeakPolarHBondContact O-CG2 3.33Å; L141-V145 PolarHBondContact O-N 3.02Å; F143-V145 VanDerWaalsContact C-N 3.3Å; F143-V145 PolarHBondContact O-N 3.47Å; V145-V149 HydrophobicContact CG1-CB 4.3Å; V145-V149 HydrophobicContact CG2-CG2 4.48Å; V145-V149 WeakPolarHBondContact O-CB 3.3Å; V145-V149 PolarHBondContact O-N 2.62Å; V145-C150 PolarHBondContact O-N 2.76Å; V145-L194 HydrophobicContact CG2-CD1 3.92Å; V145-H211 HydrophobicContact CG1-CB 4.4Å; V145-H211 HydrophobicContact CG2-CB 3.96Å; V145-D214 HydrophobicContact CG1-CB 3.71Å; V145-D214 VanDerWaalsContact CG1-OD2 3.31Å; V145-D214 WeakPolarHBondContact CG1-OD2 3.44Å
146S86.7Confident85.9Confident29 Ų2922.4 Ų22.420%0.20315%0.146CC..Hα-helixtrans-74.4-25.1-178.7-55.10000114.2Q142 F143 P151 L161Q142-S146 WeakPolarHBondContact O-CB 3.44Å; Q142-S146 PolarHBondContact O-N 3.08Å; Q142-S146 PolarHBondContact O-OG 2.64Å; F143-S146 PolarHBondContact O-N 3.32Å; S146-P151 WeakPolarHBondContact O-CD 3.48Å; S146-P151 WeakPolarHBondContact O-CG 3.35Å; S146-L161 VanDerWaalsContact O-CD1 3.23Å; S146-L161 WeakPolarHBondContact O-CD1 3.36Å
147L85.9Confident85.6Confident9 Ų921.5 Ų21.55%0.04714%0.141CC..Hα-helixtrans-109-30.7-179.9-62.3176.5000112.8L38 F83 V84 F143 Y152 V171 I175L38-L147 HydrophobicContact CD1-CD1 4.07Å; L38-L147 HydrophobicContact CD2-CD1 4.37Å; F83-L147 HydrophobicContact CD1-CD1 3.99Å; F83-L147 HydrophobicContact CE1-CD1 4.37Å; V84-L147 HydrophobicContact CG2-CB 3.42Å; V84-L147 VanDerWaalsContact CG2-CB 3.42Å; V84-L147 HydrophobicContact CG2-CD1 4.3Å; F143-L147 HydrophobicContact CD1-CD1 4.17Å; F143-L147 WeakPolarHBondContact O-CB 3.44Å; F143-L147 PolarHBondContact O-N 3.09Å; L147-Y152 VanDerWaalsContact O-CE2 3.26Å; L147-Y152 WeakPolarHBondContact O-CE2 3.42Å; L147-V171 HydrophobicContact CD2-CG1 3.61Å; L147-I175 HydrophobicContact CD2-CD1 3.98Å
148G83.6Confident85.2Confident0 Ų022.3 Ų22.30%015%0.15CC..Hα-helixtrans-103.3-18-174.400000116.1V144 Y152V144-G148 WeakPolarHBondContact O-CA 3.23Å; V144-G148 PolarHBondContact O-N 3.37Å; G148-Y152 WeakPolarHBondContact O-CD2 3.34Å
149V86.8Confident84.8Confident0 Ų024.9 Ų24.90%016%0.163CC..THydrogen-bonded Turntrans-116.3-73.1-178.7-1760000111.6V145 P151 Y152 L187 T190 L194 D214 A218V145-V149 HydrophobicContact CG1-CB 4.3Å; V145-V149 HydrophobicContact CG2-CG2 4.48Å; V145-V149 WeakPolarHBondContact O-CB 3.3Å; V145-V149 PolarHBondContact O-N 2.62Å; V149-P151 VanDerWaalsContact C-N 3.32Å; V149-P151 VanDerWaalsContact O-N 3.13Å; V149-Y152 PolarHBondContact O-N 2.96Å; V149-L187 HydrophobicContact CB-CD1 4.41Å; V149-L187 HydrophobicContact CG1-CD1 3.94Å; V149-T190 HydrophobicContact CG2-CG2 3.53Å; V149-L194 HydrophobicContact CG2-CD1 3.83Å; V149-D214 HydrophobicContact CG1-CB 4.26Å; V149-A218 HydrophobicContact CG1-CB 4.03Å
150C85.6Confident84.3Confident15 Ų1526.3 Ų26.310%0.10117%0.17CC..G310 helixtrans-51.1-38.1-172.9-61.60000115.3V145 Y152 L153 L161V145-C150 PolarHBondContact O-N 2.76Å; C150-Y152 VanDerWaalsContact C-N 3.28Å; C150-Y152 PolarHBondContact O-N 3.15Å; C150-L153 PolarHBondContact O-N 3.02Å; C150-L161 HydrophobicContact CB-CD1 3.99Å; C150-L161 HydrophobicContact CB-CD2 3.66Å; C150-L161 HydrophobicContact CB-CG 3.73Å
151P82.2Confident83.7Confident7 Ų726.6 Ų26.65%0.04517%0.171CC..G310 helixtrans-68.3-21.7-178.9-23.236.7000115S146 V149 L161 I175 R177S146-P151 WeakPolarHBondContact O-CD 3.48Å; S146-P151 WeakPolarHBondContact O-CG 3.35Å; V149-P151 VanDerWaalsContact C-N 3.32Å; V149-P151 VanDerWaalsContact O-N 3.13Å; P151-L161 HydrophobicContact CG-CD1 4.33Å; P151-I175 HydrophobicContact CB-CB 4.35Å; P151-I175 HydrophobicContact CB-CD1 3.53Å; P151-I175 HydrophobicContact CB-CG2 3.96Å; P151-I175 HydrophobicContact CG-CD1 3.27Å; P151-R177 PolarHBondContact O-NE 2.98Å; P151-R177 VanDerWaalsContact O-NE 3.1Å; P151-R177 PolarHBondContact O-NH2 3.1Å
152Y83.4Confident82.7Confident12 Ų1228 Ų285%0.04719%0.186CC..G310 helixtrans-101.3-0.4-178.5-51.5-71.3000112.9L147 G148 V149 C150 I175 A183 R186L147-Y152 VanDerWaalsContact O-CE2 3.26Å; L147-Y152 WeakPolarHBondContact O-CE2 3.42Å; G148-Y152 WeakPolarHBondContact O-CD2 3.34Å; V149-Y152 PolarHBondContact O-N 2.96Å; C150-Y152 VanDerWaalsContact C-N 3.28Å; C150-Y152 PolarHBondContact O-N 3.15Å; Y152-I175 HydrophobicContact CE1-CG2 4.1Å; Y152-A183 HydrophobicContact CD1-CB 3.67Å; Y152-A183 HydrophobicContact CE1-CB 4.43Å; Y152-A183 HydrophobicContact CG-CB 4.4Å; Y152-R186 HydrophobicContact CD2-CB 4.38Å; Y152-R186 HydrophobicContact CE2-CB 4.19Å; Y152-R186 VanDerWaalsContact CZ-CD 3.49Å; Y152-R186 WeakPolarHBondContact OH-CD 3.48Å; Y152-R186 PolarHBondContact OH-NH1 3.29Å
153L83.9Confident81.9Confident12 Ų1230.1 Ų30.16%0.06319%0.19CC..SBendtrans-68.4141.8171-61.8179.2000111.1C150 V157 L187 A217 A218 Q221C150-L153 PolarHBondContact O-N 3.02Å; L153-V157 HydrophobicContact CB-CB 4.49Å; L153-V157 HydrophobicContact CD2-CG1 4.32Å; L153-L187 HydrophobicContact CD2-CD1 4.23Å; L153-L187 HydrophobicContact CD2-CD2 4.29Å; L153-A217 HydrophobicContact CD1-CB 3.86Å; L153-A217 HydrophobicContact CD2-CB 4.13Å; L153-A218 HydrophobicContact CD2-CB 4.25Å; L153-Q221 VanDerWaalsContact CA-OE1 3.24Å
154S81.1Confident81.4Confident31 Ų3132.4 Ų32.422%0.21720%0.197CC..  trans-76.2159.4178.876.80000112G156 V157 E225S154-G156 PolarHBondContact O-N 3.44Å; S154-V157 WeakPolarHBondContact O-CB 3.45Å; S154-V157 PolarHBondContact O-N 3.08Å; S154-V157 WeakPolarHBondContact OG-CG2 3.27Å; S154-E225 VanDerWaalsContact CB-OE1 3.32Å; S154-E225 WeakPolarHBondContact CB-OE1 3.44Å; S154-E225 PolarHBondContact OG-OE1 3.07Å
155A77.8Confident80.9Confident101 Ų10135.2 Ų35.284%0.83522%0.217SC*.THydrogen-bonded Turntrans-64.1112.4-167.100000112.6
156G74.6Confident80.1Confident28 Ų2839.5 Ų39.529%0.28925%0.252SS..THydrogen-bonded Turntrans93.87.6-175.300000114.7S154 A287 P288S154-G156 PolarHBondContact O-N 3.44Å; G156-A287 WeakPolarHBondContact O-CA 3.38Å; G156-P288 VanDerWaalsContact O-CD 3.25Å; G156-P288 WeakPolarHBondContact O-CD 3.42Å
157V81.5Confident79.5Confident6 Ų643.6 Ų43.64%0.03627%0.266CS..SBendtrans-98.4120.6167.7-178.70000108.3L153 S154 A217 Q221 P288 W290 L291L153-V157 HydrophobicContact CB-CB 4.49Å; L153-V157 HydrophobicContact CD2-CG1 4.32Å; S154-V157 WeakPolarHBondContact O-CB 3.45Å; S154-V157 PolarHBondContact O-N 3.08Å; S154-V157 WeakPolarHBondContact OG-CG2 3.27Å; V157-A217 HydrophobicContact CG1-CB 4.04Å; V157-Q221 HydrophobicContact CG1-CB 4.43Å; V157-P288 HydrophobicContact CG2-CG 3.97Å; V157-W290 HydrophobicContact CG2-CH2 4.23Å; V157-W290 HydrophobicContact CG2-CZ2 3.82Å; V157-L291 HydrophobicContact CB-CD2 4.31Å; V157-L291 HydrophobicContact CG1-CD2 4.15Å; V157-L291 HydrophobicContact CG2-CD2 4.05Å
158G82Confident79Confident17 Ų1743.5 Ų43.518%0.17527%0.267CS..SBendtrans72.2-178.4-174.100000114.5
159V80.1Confident78.7Confident60 Ų6045 Ų4536%0.36428%0.28SS..  trans-96.3117.6177.8-177.60000109.7R163 R164 V266V159-R163 HydrophobicContact CG1-CB 4.39Å; V159-R164 HydrophobicContact CG1-CG 4.18Å; V159-R164 VanDerWaalsContact O-CZ 3.3Å; V159-R164 PolarHBondContact O-NE 2.62Å; V159-R164 PolarHBondContact O-NH2 2.75Å; V159-V266 HydrophobicContact CG2-CG1 3.88Å
160P78.7Confident78.2Confident60 Ų6046.2 Ų46.239%0.3929%0.287SS..  trans-61.2144.4179.823.8-33.1000112G162 R163 E172P160-G162 PolarHBondContact O-N 2.96Å; P160-R163 HydrophobicContact CG-CB 4.34Å; P160-R163 HydrophobicContact CG-CG 3.98Å; P160-R163 PolarHBondContact O-N 3.34Å; P160-E172 VanDerWaalsContact CB-OE1 3.29Å; P160-E172 WeakPolarHBondContact CB-OE1 3.46Å
161L76.9Confident77.7Confident7 Ų745.9 Ų45.94%0.03729%0.285CS..G310 helixtrans-59.6-35.8-178.4-58.9169.7000111.6S146 C150 P151 R163 R164 S165 V171 E172S146-L161 VanDerWaalsContact O-CD1 3.23Å; S146-L161 WeakPolarHBondContact O-CD1 3.36Å; C150-L161 HydrophobicContact CB-CD1 3.99Å; C150-L161 HydrophobicContact CB-CD2 3.66Å; C150-L161 HydrophobicContact CB-CG 3.73Å; P151-L161 HydrophobicContact CG-CD1 4.33Å; L161-R163 PolarHBondContact O-N 3.47Å; L161-R163 VanDerWaalsContact O-N 3.08Å; L161-R164 WeakPolarHBondContact O-CA 3.47Å; L161-R164 WeakPolarHBondContact O-CB 3.17Å; L161-R164 PolarHBondContact O-N 2.73Å; L161-S165 PolarHBondContact O-N 2.69Å; L161-S165 VanDerWaalsContact O-N 3.11Å; L161-V171 HydrophobicContact CD1-CG1 4.06Å; L161-E172 WeakPolarHBondContact CA-OE1 3.2Å; L161-E172 HydrophobicContact CB-CG 4Å; L161-E172 HydrophobicContact CD1-CG 4.2Å; L161-E172 HydrophobicContact CG-CG 4.46Å; L161-E172 PolarHBondContact N-OE1 3.49Å
162G69.3Low77.2Confident31 Ų3149.3 Ų49.332%0.3230%0.3SS..G310 helixtrans-63.9-8.8174.900000114.7P160 E172P160-G162 PolarHBondContact O-N 2.96Å; G162-E172 VanDerWaalsContact N-CD 3.31Å; G162-E172 PolarHBondContact N-OE1 2.95Å; G162-E172 PolarHBondContact N-OE2 3.35Å
163R73Confident76.7Confident151 Ų15156 Ų5657%0.5733%0.33SS*.G310 helixtrans-103.8-6.9168.4-64.8-174.4-175.5-148.2-4113.8V159 P160 L161 A283V159-R163 HydrophobicContact CG1-CB 4.39Å; P160-R163 HydrophobicContact CG-CB 4.34Å; P160-R163 HydrophobicContact CG-CG 3.98Å; P160-R163 PolarHBondContact O-N 3.34Å; L161-R163 PolarHBondContact O-N 3.47Å; L161-R163 VanDerWaalsContact O-N 3.08Å; R163-A283 PolarHBondContact NH1-O 2.92Å; R163-A283 VanDerWaalsContact NH1-O 3.11Å; R163-A283 PolarHBondContact NH2-O 3.35Å
164R77.3Confident76Confident103 Ų10356.7 Ų56.739%0.38933%0.333SS..THydrogen-bonded Turntrans-91.7-38.9175.1-55.8-175.3-163.4-153.11.8111.8V159 L161 D214V159-R164 HydrophobicContact CG1-CG 4.18Å; V159-R164 VanDerWaalsContact O-CZ 3.3Å; V159-R164 PolarHBondContact O-NE 2.62Å; V159-R164 PolarHBondContact O-NH2 2.75Å; L161-R164 WeakPolarHBondContact O-CA 3.47Å; L161-R164 WeakPolarHBondContact O-CB 3.17Å; L161-R164 PolarHBondContact O-N 2.73Å; R164-D214 IonicContact CZ-OD1 3.37Å; R164-D214 VanDerWaalsContact CZ-OD1 3.29Å; R164-D214 IonicContact CZ-OD2 3.72Å; R164-D214 VanDerWaalsContact NH1-CG 3.33Å; R164-D214 IonicContact NH1-OD1 3.68Å; R164-D214 PolarHBondContact NH1-OD1 2.96Å; R164-D214 VanDerWaalsContact NH1-OD1 3.08Å; R164-D214 IonicContact NH1-OD2 3.18Å; R164-D214 PolarHBondContact NH1-OD2 3.14Å; R164-D214 IonicContact NH2-OD1 2.69Å; R164-D214 PolarHBondContact NH2-OD1 3.02Å; R164-D214 IonicContact NH2-OD2 2.67Å
165S80.1Confident75.4Confident60 Ų6056.1 Ų56.142%0.4233%0.327SS..  trans-157.9158.7173.170.60000111.8L161 F167 G168 A169L161-S165 PolarHBondContact O-N 2.69Å; L161-S165 VanDerWaalsContact O-N 3.11Å; S165-F167 PolarHBondContact O-N 3.24Å; S165-G168 PolarHBondContact O-N 2.77Å; S165-G168 PolarHBondContact OG-N 3.28Å; S165-A169 PolarHBondContact O-N 3.22Å
166A72Confident74.9Confident90 Ų9055.8 Ų55.874%0.74431%0.309SS*.THydrogen-bonded Turntrans-60.3-34.6172.900000112.1G168 A169A166-G168 VanDerWaalsContact C-N 3.34Å; A166-A169 WeakPolarHBondContact O-CB 3.24Å; A166-A169 PolarHBondContact O-N 3.01Å
167F73.4Confident74.2Confident116 Ų11662 Ų6251%0.50932%0.323SS..THydrogen-bonded Turntrans-63.9-37.4173.1-174.6-102.1000112.1L34 S165 A169 V170 V171L34-F167 HydrophobicContact CD1-CZ 4.09Å; L34-F167 HydrophobicContact CD2-CE1 4.28Å; L34-F167 HydrophobicContact CD2-CE2 3.97Å; L34-F167 HydrophobicContact CD2-CZ 3.52Å; L34-F167 HydrophobicContact CG-CZ 4.47Å; S165-F167 PolarHBondContact O-N 3.24Å; F167-A169 PolarHBondContact O-N 3.02Å; F167-V170 WeakPolarHBondContact O-CA 3.48Å; F167-V170 WeakPolarHBondContact O-CB 3.42Å; F167-V170 PolarHBondContact O-N 2.89Å; F167-V171 HydrophobicContact CD1-CG2 4Å; F167-V171 HydrophobicContact CE1-CG2 3.79Å; F167-V171 HydrophobicContact CZ-CG2 4.4Å; F167-V171 PolarHBondContact O-N 2.81Å; F167-V171 VanDerWaalsContact O-N 3.09Å
168G76.9Confident73.1Confident6 Ų670.9 Ų70.96%0.06236%0.364CS..Hα-helixtrans-58.7-31.8174.400000113.8S165 A166 V170 V171 E172S165-G168 PolarHBondContact O-N 2.77Å; S165-G168 PolarHBondContact OG-N 3.28Å; A166-G168 VanDerWaalsContact C-N 3.34Å; G168-V170 VanDerWaalsContact C-N 3.28Å; G168-V170 PolarHBondContact O-N 3.43Å; G168-V171 PolarHBondContact O-N 2.97Å; G168-E172 WeakPolarHBondContact O-CG 3.34Å; G168-E172 PolarHBondContact O-N 3.46Å
169A75.4Confident72.2Confident33 Ų3371.6 Ų71.627%0.27337%0.365SS..Hα-helixtrans-74.9-13.6174.600000114S165 A166 F167 K173S165-A169 PolarHBondContact O-N 3.22Å; A166-A169 WeakPolarHBondContact O-CB 3.24Å; A166-A169 PolarHBondContact O-N 3.01Å; F167-A169 PolarHBondContact O-N 3.02Å; A169-K173 WeakPolarHBondContact O-CD 3.44Å; A169-K173 WeakPolarHBondContact O-CE 3.14Å; A169-K173 WeakPolarHBondContact O-CG 3.32Å
170V76.6Confident71.2Confident24 Ų2473.1 Ų73.115%0.14538%0.379CS..Hα-helixtrans-83.9-44.3167.8-174.20000109.4Q30 Q31 F167 G168 K173Q30-V170 HydrophobicContact CB-CG1 4.33Å; Q31-V170 HydrophobicContact CG-CG1 3.78Å; F167-V170 WeakPolarHBondContact O-CA 3.48Å; F167-V170 WeakPolarHBondContact O-CB 3.42Å; F167-V170 PolarHBondContact O-N 2.89Å; G168-V170 VanDerWaalsContact C-N 3.28Å; G168-V170 PolarHBondContact O-N 3.43Å; V170-K173 PolarHBondContact O-N 2.93Å
171V74.8Confident70.6Confident8 Ų872.1 Ų72.15%0.04837%0.372CS..Hα-helixtrans-60.4-43.9178.2176.20000112.6L34 L147 L161 F167 G168 K173 L174 I175L34-V171 HydrophobicContact CD2-CG2 4.04Å; L147-V171 HydrophobicContact CD2-CG1 3.61Å; L161-V171 HydrophobicContact CD1-CG1 4.06Å; F167-V171 HydrophobicContact CD1-CG2 4Å; F167-V171 HydrophobicContact CE1-CG2 3.79Å; F167-V171 HydrophobicContact CZ-CG2 4.4Å; F167-V171 PolarHBondContact O-N 2.81Å; F167-V171 VanDerWaalsContact O-N 3.09Å; G168-V171 PolarHBondContact O-N 2.97Å; V171-K173 PolarHBondContact O-N 3.25Å; V171-K173 VanDerWaalsContact O-N 3.09Å; V171-L174 PolarHBondContact O-N 3.07Å; V171-L174 VanDerWaalsContact O-N 3.1Å; V171-I175 HydrophobicContact CG1-CD1 4.16Å
172E72.9Confident70.6Confident79 Ų7974 Ų7437%0.36939%0.385SS..THydrogen-bonded Turntrans-56.1-28.6177.3-81.4172.6174.100114P160 L161 G162 G168P160-E172 VanDerWaalsContact CB-OE1 3.29Å; P160-E172 WeakPolarHBondContact CB-OE1 3.46Å; L161-E172 WeakPolarHBondContact CA-OE1 3.2Å; L161-E172 HydrophobicContact CB-CG 4Å; L161-E172 HydrophobicContact CD1-CG 4.2Å; L161-E172 HydrophobicContact CG-CG 4.46Å; L161-E172 PolarHBondContact N-OE1 3.49Å; G162-E172 VanDerWaalsContact N-CD 3.31Å; G162-E172 PolarHBondContact N-OE1 2.95Å; G162-E172 PolarHBondContact N-OE2 3.35Å; G168-E172 WeakPolarHBondContact O-CG 3.34Å; G168-E172 PolarHBondContact O-N 3.46Å
173K72.3Confident70.9Confident154 Ų15473.7 Ų73.767%0.6738%0.379SS*.THydrogen-bonded Turntrans-91.5-4.5-176.4-61.1175-176.4176.60113.7A169 V170 V171A169-K173 WeakPolarHBondContact O-CD 3.44Å; A169-K173 WeakPolarHBondContact O-CE 3.14Å; A169-K173 WeakPolarHBondContact O-CG 3.32Å; V170-K173 PolarHBondContact O-N 2.93Å; V171-K173 PolarHBondContact O-N 3.25Å; V171-K173 VanDerWaalsContact O-N 3.09Å
174L69.3Low71.1Confident25 Ų2567.5 Ų67.513%0.13136%0.362CS..SBendtrans-89.4-13-178.2-89.3167.4000114Q31 L34 H35 V171Q31-L174 HydrophobicContact CB-CD2 3.78Å; Q31-L174 HydrophobicContact CB-CG 4.13Å; Q31-L174 HydrophobicContact CG-CG 4.39Å; Q31-L174 WeakPolarHBondContact O-CD2 3.41Å; L34-L174 HydrophobicContact CB-CD1 4.07Å; L34-L174 HydrophobicContact CD2-CD1 3.72Å; L34-L174 HydrophobicContact CG-CD1 4.02Å; H35-L174 HydrophobicContact CB-CD2 4.06Å; V171-L174 PolarHBondContact O-N 3.07Å; V171-L174 VanDerWaalsContact O-N 3.1Å
175I69.6Low71.3Confident19 Ų1967.4 Ų67.410%0.09736%0.362CS..  trans-105.2117.5-156.2-64.1175.6000111.1L147 P151 Y152 V171 R177L147-I175 HydrophobicContact CD2-CD1 3.98Å; P151-I175 HydrophobicContact CB-CB 4.35Å; P151-I175 HydrophobicContact CB-CD1 3.53Å; P151-I175 HydrophobicContact CB-CG2 3.96Å; P151-I175 HydrophobicContact CG-CD1 3.27Å; Y152-I175 HydrophobicContact CE1-CG2 4.1Å; V171-I175 HydrophobicContact CG1-CD1 4.16Å; I175-R177 PolarHBondContact O-N 3.15Å
176Q65.6Low71.6Confident95 Ų9564.6 Ų64.644%0.44434%0.342SS..  trans-81.897.3-174.9-60.5-176.714.200110.1E178 T179Q176-E178 PolarHBondContact O-N 3.49Å; Q176-E178 VanDerWaalsContact O-N 3.15Å; Q176-T179 HydrophobicContact CB-CG2 4.21Å; Q176-T179 PolarHBondContact O-OG1 3.03Å
177R61.1Low72.3Confident157 Ų15760.4 Ų60.459%0.59231%0.307SS*.THydrogen-bonded Turntrans-69.3-6.6-178.6-72.5178164.4-179.5-7.5114.8P151 I175P151-R177 PolarHBondContact O-NE 2.98Å; P151-R177 VanDerWaalsContact O-NE 3.1Å; P151-R177 PolarHBondContact O-NH2 3.1Å; I175-R177 PolarHBondContact O-N 3.15Å
178E58.1Low72.9Confident194 Ų19455 Ų5591%0.90728%0.284SS*.THydrogen-bonded Turntrans-109.1-7.2-169.2-55.9-169.7152.900113.9Q176Q176-E178 PolarHBondContact O-N 3.49Å; Q176-E178 VanDerWaalsContact O-N 3.15Å
179T62.8Low73.4Confident32 Ų3255.2 Ų55.220%0.19628%0.284CS..SBendtrans-84.3151178.249.70000112.5Q176 P181 R186Q176-T179 HydrophobicContact CB-CG2 4.21Å; Q176-T179 PolarHBondContact O-OG1 3.03Å; T179-P181 VanDerWaalsContact O-O 3.12Å; T179-R186 PolarHBondContact O-NH2 2.72Å; T179-R186 PolarHBondContact OG1-NH2 3.45Å
180S58.9Low74.1Confident92 Ų9253.7 Ų53.764%0.64327%0.271SS*.SBendtrans-69.2148.2174.647.90000111.8R186S180-R186 PolarHBondContact O-NH2 3.21Å
181P66.4Low74.8Confident39 Ų3952.5 Ų52.525%0.25326%0.264SS..SBendcis-73.4158.1-9.132.5-35.4000112.1T179 R186T179-P181 VanDerWaalsContact O-O 3.12Å; P181-R186 HydrophobicContact CG-CG 4.01Å; P181-R186 PolarHBondContact O-NE 2.92Å
182P76.1Confident75.6Confident46 Ų4655.9 Ų55.930%0.29928%0.276SS..PPolyproline II helixtrans-62.4150.1-173.125-34.8000113.4G184 R185 R186P182-G184 VanDerWaalsContact C-N 3.3Å; P182-G184 PolarHBondContact O-N 3.14Å; P182-G184 VanDerWaalsContact O-N 3.12Å; P182-R185 HydrophobicContact CG-CB 4.09Å; P182-R185 WeakPolarHBondContact O-CA 3.46Å; P182-R185 WeakPolarHBondContact O-CB 3.22Å; P182-R185 PolarHBondContact O-N 2.86Å; P182-R186 PolarHBondContact O-N 3.4Å; P182-R186 VanDerWaalsContact O-N 3.14Å
183A76.3Confident76.4Confident24 Ų2452.2 Ų52.220%0.19826%0.259CS..Hα-helixtrans-46.9-44.2-175.200000114.8Y152 R185 R186 L187Y152-A183 HydrophobicContact CD1-CB 3.67Å; Y152-A183 HydrophobicContact CE1-CB 4.43Å; Y152-A183 HydrophobicContact CG-CB 4.4Å; A183-R185 VanDerWaalsContact C-N 3.32Å; A183-R185 PolarHBondContact O-N 2.65Å; A183-R186 PolarHBondContact O-N 2.91Å; A183-L187 WeakPolarHBondContact O-CB 3.28Å; A183-L187 PolarHBondContact O-N 3.43Å
184G77.1Confident77.3Confident21 Ų2145 Ų4522%0.21623%0.227CC..Hα-helixtrans-64.1-32.1177.100000114P182 L188P182-G184 VanDerWaalsContact C-N 3.3Å; P182-G184 PolarHBondContact O-N 3.14Å; P182-G184 VanDerWaalsContact O-N 3.12Å; G184-L188 WeakPolarHBondContact O-CB 3.3Å; G184-L188 PolarHBondContact O-N 3.26Å
185R82.5Confident78.4Confident102 Ų10245 Ų4539%0.38523%0.227SC..Hα-helixtrans-75-37.9176-167.466.1176.5-173.57.5111.8P182 A183 T189 E240P182-R185 HydrophobicContact CG-CB 4.09Å; P182-R185 WeakPolarHBondContact O-CA 3.46Å; P182-R185 WeakPolarHBondContact O-CB 3.22Å; P182-R185 PolarHBondContact O-N 2.86Å; A183-R185 VanDerWaalsContact C-N 3.32Å; A183-R185 PolarHBondContact O-N 2.65Å; R185-T189 WeakPolarHBondContact O-CB 3.36Å; R185-T189 PolarHBondContact O-N 3.36Å; R185-T189 PolarHBondContact O-OG1 3.2Å; R185-E240 IonicContact CZ-OE1 3.54Å; R185-E240 VanDerWaalsContact NH1-CD 3.32Å; R185-E240 IonicContact NH1-OE1 3.6Å; R185-E240 PolarHBondContact NH1-OE1 2.82Å; R185-E240 IonicContact NH1-OE2 3.96Å; R185-E240 PolarHBondContact NH1-OE2 2.62Å; R185-E240 IonicContact NH2-OE1 3.86Å
186R84.9Confident79.3Confident1 Ų147.7 Ų47.70%0.00424%0.239CC..Hα-helixtrans-58.9-53.2171.2-63.8-175.9-169.7-163.8-0.1110.4D78 W81 Y152 T179 S180 P181 P182 A183 L188 T189 T190D78-R186 IonicContact OD2-CZ 3.18Å; D78-R186 IonicContact OD2-NH1 3.21Å; D78-R186 PolarHBondContact OD2-NH1 2.91Å; D78-R186 IonicContact OD2-NH2 2.98Å; W81-R186 HydrophobicContact CD2-CB 4.46Å; W81-R186 HydrophobicContact CD2-CG 3.9Å; W81-R186 HydrophobicContact CE3-CB 3.94Å; W81-R186 HydrophobicContact CE3-CG 3.85Å; W81-R186 HydrophobicContact CH2-CB 3.77Å; W81-R186 HydrophobicContact CH2-CG 4.05Å; W81-R186 HydrophobicContact CZ2-CB 4.29Å; W81-R186 HydrophobicContact CZ2-CG 4.09Å; W81-R186 HydrophobicContact CZ3-CB 3.56Å; W81-R186 HydrophobicContact CZ3-CG 3.93Å; Y152-R186 HydrophobicContact CD2-CB 4.38Å; Y152-R186 HydrophobicContact CE2-CB 4.19Å; Y152-R186 VanDerWaalsContact CZ-CD 3.49Å; Y152-R186 WeakPolarHBondContact OH-CD 3.48Å; Y152-R186 PolarHBondContact OH-NH1 3.29Å; T179-R186 PolarHBondContact O-NH2 2.72Å; T179-R186 PolarHBondContact OG1-NH2 3.45Å; S180-R186 PolarHBondContact O-NH2 3.21Å; P181-R186 HydrophobicContact CG-CG 4.01Å; P181-R186 PolarHBondContact O-NE 2.92Å; P182-R186 PolarHBondContact O-N 3.4Å; P182-R186 VanDerWaalsContact O-N 3.14Å; A183-R186 PolarHBondContact O-N 2.91Å; R186-L188 PolarHBondContact O-N 3.09Å; R186-T189 PolarHBondContact O-N 3.42Å; R186-T189 VanDerWaalsContact O-N 3.16Å; R186-T190 PolarHBondContact O-N 3.24Å; R186-T190 PolarHBondContact O-OG1 3.32Å
187L86.6Confident80.5Confident1 Ų143.2 Ų43.21%0.00522%0.219CC..Hα-helixtrans-58.2-44.8178.4-171.864.2000112.3V149 L153 A183 T191 A218 L222V149-L187 HydrophobicContact CB-CD1 4.41Å; V149-L187 HydrophobicContact CG1-CD1 3.94Å; L153-L187 HydrophobicContact CD2-CD1 4.23Å; L153-L187 HydrophobicContact CD2-CD2 4.29Å; A183-L187 WeakPolarHBondContact O-CB 3.28Å; A183-L187 PolarHBondContact O-N 3.43Å; L187-T191 VanDerWaalsContact O-CB 3.22Å; L187-T191 WeakPolarHBondContact O-CB 3.36Å; L187-T191 PolarHBondContact O-N 3.4Å; L187-T191 PolarHBondContact O-OG1 2.9Å; L187-A218 HydrophobicContact CD1-CB 3.77Å; L187-A218 HydrophobicContact CD2-CB 4.46Å; L187-A218 HydrophobicContact CG-CB 4.13Å; L187-L222 HydrophobicContact CB-CD2 4.4Å; L187-L222 HydrophobicContact CD2-CD2 4.11Å; L187-L222 HydrophobicContact CD2-CG 4.13Å; L187-L222 HydrophobicContact CG-CD1 4.22Å; L187-L222 HydrophobicContact CG-CD2 4.31Å; L187-L222 HydrophobicContact CG-CG 4.31Å
188L86.9Confident81.8Confident3 Ų336.5 Ų36.52%0.01620%0.197CC..Hα-helixtrans-60.2-47.3174.9178.366.9000111.9G184 R186 T191 R192 L222 L236 E240 W243G184-L188 WeakPolarHBondContact O-CB 3.3Å; G184-L188 PolarHBondContact O-N 3.26Å; R186-L188 PolarHBondContact O-N 3.09Å; L188-T191 PolarHBondContact O-N 2.91Å; L188-R192 WeakPolarHBondContact O-CB 3.3Å; L188-R192 PolarHBondContact O-N 3.4Å; L188-L222 HydrophobicContact CB-CD1 4.25Å; L188-L222 HydrophobicContact CB-CD2 4.26Å; L188-L222 HydrophobicContact CD1-CD1 4.17Å; L188-L236 HydrophobicContact CB-CD2 4.47Å; L188-L236 HydrophobicContact CD2-CD2 4Å; L188-E240 HydrophobicContact CD2-CB 4.25Å; L188-E240 HydrophobicContact CD2-CG 4.16Å; L188-W243 HydrophobicContact CD1-CE3 4.16Å; L188-W243 HydrophobicContact CD1-CZ3 3.87Å
189T87.9Confident83.3Confident11 Ų1134.7 Ų34.77%0.06719%0.188CC..Hα-helixtrans-61.4-52.8-178.8-610000111W71 W81 R185 R186 T191 R192 V193W71-T189 HydrophobicContact CB-CG2 3.67Å; W71-T189 HydrophobicContact CD2-CG2 3.42Å; W71-T189 VanDerWaalsContact CD2-CG2 3.42Å; W71-T189 HydrophobicContact CE3-CG2 3.53Å; W71-T189 HydrophobicContact CG-CG2 3.49Å; W71-T189 VanDerWaalsContact CG-CG2 3.49Å; W71-T189 HydrophobicContact CZ3-CG2 4.37Å; W81-T189 HydrophobicContact CH2-CG2 4.31Å; W81-T189 HydrophobicContact CZ2-CG2 4.44Å; R185-T189 WeakPolarHBondContact O-CB 3.36Å; R185-T189 PolarHBondContact O-N 3.36Å; R185-T189 PolarHBondContact O-OG1 3.2Å; R186-T189 PolarHBondContact O-N 3.42Å; R186-T189 VanDerWaalsContact O-N 3.16Å; T189-T191 VanDerWaalsContact C-N 3.33Å; T189-T191 PolarHBondContact O-N 3.15Å; T189-R192 PolarHBondContact O-N 3.47Å; T189-V193 WeakPolarHBondContact O-CG2 3.46Å; T189-V193 PolarHBondContact O-N 3.23Å
190T89.9Confident84.5Confident0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-61.8-40.5178.8-57.20000111.7W81 L88 V144 V149 R186 L194W81-T190 WeakPolarHBondContact CZ3-OG1 3.48Å; L88-T190 HydrophobicContact CD2-CG2 4.42Å; V144-T190 HydrophobicContact CG1-CG2 3.61Å; V149-T190 HydrophobicContact CG2-CG2 3.53Å; R186-T190 PolarHBondContact O-N 3.24Å; R186-T190 PolarHBondContact O-OG1 3.32Å; T190-L194 HydrophobicContact CG2-CD1 4Å; T190-L194 HydrophobicContact CG2-CG 4.42Å; T190-L194 WeakPolarHBondContact O-CB 3.33Å; T190-L194 VanDerWaalsContact O-CG 3.27Å; T190-L194 WeakPolarHBondContact O-CG 3.37Å; T190-L194 PolarHBondContact O-N 2.62Å
191T90.5Very high85.8Confident0 Ų032.5 Ų32.50%018%0.177CC..Hα-helixtrans-66.5-40177.5-54.30000112L187 L188 T189 L195 V215 A218 L219L187-T191 VanDerWaalsContact O-CB 3.22Å; L187-T191 WeakPolarHBondContact O-CB 3.36Å; L187-T191 PolarHBondContact O-N 3.4Å; L187-T191 PolarHBondContact O-OG1 2.9Å; L188-T191 PolarHBondContact O-N 2.91Å; T189-T191 VanDerWaalsContact C-N 3.33Å; T189-T191 PolarHBondContact O-N 3.15Å; T191-L195 HydrophobicContact CG2-CD1 4.35Å; T191-L195 WeakPolarHBondContact O-CG 3.41Å; T191-L195 PolarHBondContact O-N 3.44Å; T191-L195 VanDerWaalsContact O-N 3.09Å; T191-V215 HydrophobicContact CG2-CG1 4.4Å; T191-A218 HydrophobicContact CG2-CB 4.26Å; T191-A218 WeakPolarHBondContact OG1-CB 3.48Å; T191-L219 HydrophobicContact CG2-CD2 3.7Å; T191-L219 HydrophobicContact CG2-CG 3.82Å
192R91.1Very high86.7Confident79 Ų7932.6 Ų32.630%0.29818%0.177SC..Hα-helixtrans-64.7-46.7176.5-178.9175-71.5172.4-0.3111.8L188 T189 L195 Q196 W243L188-R192 WeakPolarHBondContact O-CB 3.3Å; L188-R192 PolarHBondContact O-N 3.4Å; T189-R192 PolarHBondContact O-N 3.47Å; R192-L195 PolarHBondContact O-N 3.11Å; R192-Q196 WeakPolarHBondContact O-CG 3.37Å; R192-Q196 PolarHBondContact O-N 2.93Å; R192-W243 HydrophobicContact CB-CH2 3.72Å; R192-W243 HydrophobicContact CB-CZ2 4.38Å; R192-W243 HydrophobicContact CB-CZ3 4.32Å; R192-W243 HydrophobicContact CG-CH2 3.86Å; R192-W243 HydrophobicContact CG-CZ2 4.01Å
193V90.7Very high87.2Confident1 Ų130.4 Ų30.41%0.00616%0.163CC..Hα-helixtrans-66.4-40.2178.5177.10000111.5W71 L88 L92 T189 L195 Q196 V197W71-V193 HydrophobicContact CZ2-CG2 3.94Å; L88-V193 HydrophobicContact CB-CG1 4.1Å; L88-V193 HydrophobicContact CD1-CB 4.5Å; L88-V193 HydrophobicContact CD2-CB 3.94Å; L88-V193 HydrophobicContact CD2-CG1 3.69Å; L88-V193 HydrophobicContact CG-CG1 4.38Å; L92-V193 HydrophobicContact CD1-CG1 3.83Å; L92-V193 HydrophobicContact CD1-CG2 4.08Å; L92-V193 HydrophobicContact CD2-CG1 3.88Å; L92-V193 HydrophobicContact CG-CG1 3.6Å; T189-V193 WeakPolarHBondContact O-CG2 3.46Å; T189-V193 PolarHBondContact O-N 3.23Å; V193-L195 VanDerWaalsContact C-N 3.25Å; V193-L195 PolarHBondContact O-N 3.02Å; V193-Q196 PolarHBondContact O-N 2.88Å; V193-V197 HydrophobicContact CG1-CG2 4.2Å; V193-V197 WeakPolarHBondContact O-CB 3.25Å; V193-V197 VanDerWaalsContact O-CG2 3.27Å; V193-V197 WeakPolarHBondContact O-CG2 3.3Å; V193-V197 PolarHBondContact O-N 3.2Å
194L91.8Very high87.7Confident2 Ų229.9 Ų29.91%0.0116%0.159CC..Hα-helixtrans-61.2-32.8174.3-76.4172.3000112.9L141 V144 V145 V149 T190 A198 V215L141-L194 HydrophobicContact CD2-CD2 3.7Å; V144-L194 HydrophobicContact CG1-CD1 4.22Å; V144-L194 HydrophobicContact CG1-CD2 3.95Å; V144-L194 HydrophobicContact CG1-CG 4.14Å; V145-L194 HydrophobicContact CG2-CD1 3.92Å; V149-L194 HydrophobicContact CG2-CD1 3.83Å; T190-L194 HydrophobicContact CG2-CD1 4Å; T190-L194 HydrophobicContact CG2-CG 4.42Å; T190-L194 WeakPolarHBondContact O-CB 3.33Å; T190-L194 VanDerWaalsContact O-CG 3.27Å; T190-L194 WeakPolarHBondContact O-CG 3.37Å; T190-L194 PolarHBondContact O-N 2.62Å; L194-A198 WeakPolarHBondContact O-CB 3.26Å; L194-A198 PolarHBondContact O-N 2.81Å; L194-A198 VanDerWaalsContact O-N 3.16Å; L194-V215 HydrophobicContact CD1-CG2 4.32Å
195L90.8Very high88.2Confident26 Ų2633.4 Ų33.414%0.13618%0.176CC..Hα-helixtrans-73.9-38174.1-73169.9000112.6T191 R192 V193 A198 E199 V215 L219 W243 A247T191-L195 HydrophobicContact CG2-CD1 4.35Å; T191-L195 WeakPolarHBondContact O-CG 3.41Å; T191-L195 PolarHBondContact O-N 3.44Å; T191-L195 VanDerWaalsContact O-N 3.09Å; R192-L195 PolarHBondContact O-N 3.11Å; V193-L195 VanDerWaalsContact C-N 3.25Å; V193-L195 PolarHBondContact O-N 3.02Å; L195-A198 CarbonylContact O-C 3.56Å; L195-A198 WeakPolarHBondContact O-CA 3.36Å; L195-A198 PolarHBondContact O-N 3.04Å; L195-A198 VanDerWaalsContact O-N 3.14Å; L195-E199 PolarHBondContact O-N 3.35Å; L195-V215 HydrophobicContact CD2-CG1 4.11Å; L195-V215 HydrophobicContact CG-CG1 4.44Å; L195-L219 HydrophobicContact CD1-CD1 4.28Å; L195-L219 HydrophobicContact CD1-CD2 4.18Å; L195-W243 HydrophobicContact CD1-CH2 3.93Å; L195-W243 HydrophobicContact CD1-CZ2 4.37Å; L195-A247 HydrophobicContact CD1-CB 3.96Å
196Q89.7Confident88.3Confident75 Ų7530.3 Ų30.335%0.3517%0.167SC..Hα-helixtrans-64.6-43.5173.5-70.7173.2-56.400111.6L92 R192 V193 A198 E199L92-Q196 HydrophobicContact CD2-CB 4.15Å; R192-Q196 WeakPolarHBondContact O-CG 3.37Å; R192-Q196 PolarHBondContact O-N 2.93Å; V193-Q196 PolarHBondContact O-N 2.88Å; Q196-A198 PolarHBondContact O-N 3.37Å; Q196-E199 WeakPolarHBondContact O-CB 3.37Å; Q196-E199 PolarHBondContact O-N 2.93Å
197V89.7Confident88.5Confident1 Ų130.3 Ų30.31%0.00617%0.167CC..Hα-helixtrans-58.8-31.4171.8170.80000111.3L91 V193 E199 L203 V207L91-V197 HydrophobicContact CB-CG2 3.94Å; V193-V197 HydrophobicContact CG1-CG2 4.2Å; V193-V197 WeakPolarHBondContact O-CB 3.25Å; V193-V197 VanDerWaalsContact O-CG2 3.27Å; V193-V197 WeakPolarHBondContact O-CG2 3.3Å; V193-V197 PolarHBondContact O-N 3.2Å; V197-E199 VanDerWaalsContact C-N 3.34Å; V197-L203 HydrophobicContact CG1-CB 4.07Å; V197-L203 HydrophobicContact CG1-CD1 4.14Å; V197-L203 VanDerWaalsContact O-CB 3.26Å; V197-L203 WeakPolarHBondContact O-CB 3.48Å; V197-V207 HydrophobicContact CG1-CG2 4.34Å
198A89.6Confident88.5Confident16 Ų1631.9 Ų31.913%0.13217%0.174CC..THydrogen-bonded Turntrans-88.113.217600000114.8L194 L195 Q196 A204 F208L194-A198 WeakPolarHBondContact O-CB 3.26Å; L194-A198 PolarHBondContact O-N 2.81Å; L194-A198 VanDerWaalsContact O-N 3.16Å; L195-A198 CarbonylContact O-C 3.56Å; L195-A198 WeakPolarHBondContact O-CA 3.36Å; L195-A198 PolarHBondContact O-N 3.04Å; L195-A198 VanDerWaalsContact O-N 3.14Å; Q196-A198 PolarHBondContact O-N 3.37Å; A198-A204 HydrophobicContact CB-CB 3.93Å; A198-A204 WeakPolarHBondContact O-CB 3.27Å; A198-F208 HydrophobicContact CB-CE1 4.19Å; A198-F208 HydrophobicContact CB-CE2 3.83Å; A198-F208 HydrophobicContact CB-CZ 3.45Å; A198-F208 VanDerWaalsContact CB-CZ 3.45Å
199E89.3Confident88.4Confident157 Ų15735.6 Ų35.673%0.73420%0.2SC*.THydrogen-bonded Turntrans-76.1-31.1166-68176.2-164.100111.3L195 Q196 V197L195-E199 PolarHBondContact O-N 3.35Å; Q196-E199 WeakPolarHBondContact O-CB 3.37Å; Q196-E199 PolarHBondContact O-N 2.93Å; V197-E199 VanDerWaalsContact C-N 3.34Å
200L87.8Confident88.2Confident9 Ų943.1 Ų43.15%0.04723%0.227CC..SBendtrans-83.7125172.1-176.764.5000110.8T95 L98 L102 D127 T202 L203 A204T95-L200 HydrophobicContact CG2-CB 4.21Å; L98-L200 HydrophobicContact CB-CD2 3.51Å; L98-L200 HydrophobicContact CD1-CD2 3.92Å; L98-L200 HydrophobicContact CG-CD2 4.38Å; L102-L200 HydrophobicContact CD2-CD1 3.82Å; D127-L200 HydrophobicContact CB-CD1 4.44Å; L200-T202 PolarHBondContact O-N 2.84Å; L200-L203 HydrophobicContact CD2-CD1 3.95Å; L200-L203 HydrophobicContact CD2-CG 4.11Å; L200-L203 PolarHBondContact O-N 3.36Å; L200-A204 WeakPolarHBondContact O-CB 3.43Å; L200-A204 PolarHBondContact O-N 3.04Å
201A85.5Confident88.1Confident68 Ų6844 Ų4456%0.56223%0.231SC*.Hα-helixtrans-60.6-37.2-167.900000115.1T205A201-T205 PolarHBondContact O-N 2.92Å; A201-T205 PolarHBondContact O-OG1 3.04Å
202T85.2Confident88.1Confident41 Ų4144.1 Ų44.125%0.25223%0.232SC..Hα-helixtrans-67.1-44.7178.550.80000111.6D127 L200 T205 M206D127-T202 HydrophobicContact CB-CG2 4.14Å; D127-T202 PolarHBondContact O-OG1 2.93Å; D127-T202 WeakPolarHBondContact OD2-CG2 3.19Å; L200-T202 PolarHBondContact O-N 2.84Å; T202-T205 PolarHBondContact O-N 2.92Å; T202-M206 PolarHBondContact O-N 3.21Å
203L87.3Confident87.9Confident0 Ų040.7 Ų40.70%022%0.221CC..Hα-helixtrans-70.3-37.5175.3-62.5-179000112T95 L98 L129 V137 V197 L200 T205 M206 V207T95-L203 HydrophobicContact CG2-CD1 4.33Å; T95-L203 WeakPolarHBondContact OG1-CD1 3.4Å; L98-L203 HydrophobicContact CD1-CD1 4.48Å; L129-L203 HydrophobicContact CD1-CD2 4.16Å; V137-L203 HydrophobicContact CG1-CD2 4Å; V197-L203 HydrophobicContact CG1-CB 4.07Å; V197-L203 HydrophobicContact CG1-CD1 4.14Å; V197-L203 VanDerWaalsContact O-CB 3.26Å; V197-L203 WeakPolarHBondContact O-CB 3.48Å; L200-L203 HydrophobicContact CD2-CD1 3.95Å; L200-L203 HydrophobicContact CD2-CG 4.11Å; L200-L203 PolarHBondContact O-N 3.36Å; L203-T205 VanDerWaalsContact C-N 3.26Å; L203-T205 PolarHBondContact O-N 2.89Å; L203-M206 WeakPolarHBondContact O-CA 3.35Å; L203-M206 WeakPolarHBondContact O-CB 3.28Å; L203-M206 PolarHBondContact O-N 2.89Å; L203-V207 WeakPolarHBondContact O-CG2 3.31Å; L203-V207 PolarHBondContact O-N 3.12Å
204A86.9Confident87.8Confident13 Ų1340.9 Ų40.911%0.10722%0.222CC..Hα-helixtrans-56.3-41.2172.300000112.1A198 L200 M206 V207 F208A198-A204 HydrophobicContact CB-CB 3.93Å; A198-A204 WeakPolarHBondContact O-CB 3.27Å; L200-A204 WeakPolarHBondContact O-CB 3.43Å; L200-A204 PolarHBondContact O-N 3.04Å; A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.04Å; A204-V207 PolarHBondContact O-N 2.96Å; A204-F208 HydrophobicContact CB-CD2 4.18Å; A204-F208 HydrophobicContact CB-CE2 3.94Å; A204-F208 WeakPolarHBondContact O-CB 3.27Å; A204-F208 WeakPolarHBondContact O-CD2 3.26Å; A204-F208 WeakPolarHBondContact O-CG 3.49Å; A204-F208 PolarHBondContact O-N 3.3Å
205T87Confident87.8Confident95 Ų9540.9 Ų40.958%0.58322%0.222SC*.Hα-helixtrans-64.2-39.6176-530000111.4A201 T202 L203 S209A201-T205 PolarHBondContact O-N 2.92Å; A201-T205 PolarHBondContact O-OG1 3.04Å; T202-T205 PolarHBondContact O-N 2.92Å; L203-T205 VanDerWaalsContact C-N 3.26Å; L203-T205 PolarHBondContact O-N 2.89Å; T205-S209 WeakPolarHBondContact O-CB 3.33Å; T205-S209 PolarHBondContact O-N 3.17Å; T205-S209 VanDerWaalsContact O-N 3.11Å; T205-S209 PolarHBondContact O-OG 3.01Å
206M85.3Confident87.8Confident37 Ų3739.7 Ų39.718%0.18222%0.216CC..Hα-helixtrans-67.5-38.6175.5-68-66.9-68.200113Q134 L141 T202 L203 A204 S209Q134-M206 HydrophobicContact CB-CE 3.99Å; Q134-M206 HydrophobicContact CB-SD 4.35Å; Q134-M206 HydrophobicContact CG-SD 4.4Å; Q134-M206 WeakPolarHBondContact O-CE 3.33Å; L141-M206 HydrophobicContact CD1-CB 3.99Å; T202-M206 PolarHBondContact O-N 3.21Å; L203-M206 WeakPolarHBondContact O-CA 3.35Å; L203-M206 WeakPolarHBondContact O-CB 3.28Å; L203-M206 PolarHBondContact O-N 2.89Å; A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.04Å; M206-S209 PolarHBondContact O-OG 3.38Å
207V88.3Confident87.8Confident1 Ų136.1 Ų36.11%0.00620%0.199CC..Hα-helixtrans-69.1-56.2176.2175.50000110.7L141 V197 L203 A204 S209 R210 H211 V215L141-V207 HydrophobicContact CD1-CG2 3.9Å; L141-V207 HydrophobicContact CD2-CG2 3.89Å; V197-V207 HydrophobicContact CG1-CG2 4.34Å; L203-V207 WeakPolarHBondContact O-CG2 3.31Å; L203-V207 PolarHBondContact O-N 3.12Å; A204-V207 PolarHBondContact O-N 2.96Å; V207-S209 PolarHBondContact O-N 3.22Å; V207-R210 PolarHBondContact O-N 2.74Å; V207-H211 WeakPolarHBondContact O-CA 3.4Å; V207-H211 WeakPolarHBondContact O-CB 3.44Å; V207-H211 PolarHBondContact O-N 3.05Å; V207-V215 HydrophobicContact CG1-CG2 4.38Å
208F88.1Confident87.8Confident35 Ų3536.1 Ų36.115%0.15420%0.199CC..Hα-helixtrans-77.1-23.9-169.3-57.1-40.9000114.2A198 A204 R210 L212 L251 V255A198-F208 HydrophobicContact CB-CE1 4.19Å; A198-F208 HydrophobicContact CB-CE2 3.83Å; A198-F208 HydrophobicContact CB-CZ 3.45Å; A198-F208 VanDerWaalsContact CB-CZ 3.45Å; A204-F208 HydrophobicContact CB-CD2 4.18Å; A204-F208 HydrophobicContact CB-CE2 3.94Å; A204-F208 WeakPolarHBondContact O-CB 3.27Å; A204-F208 WeakPolarHBondContact O-CD2 3.26Å; A204-F208 WeakPolarHBondContact O-CG 3.49Å; A204-F208 PolarHBondContact O-N 3.3Å; F208-R210 PolarHBondContact O-N 3.35Å; F208-L212 HydrophobicContact CB-CB 4.27Å; F208-L212 HydrophobicContact CB-CD1 4.31Å; F208-L212 HydrophobicContact CD1-CD1 3.77Å; F208-L212 HydrophobicContact CE1-CD1 4.45Å; F208-L212 HydrophobicContact CG-CD1 4.18Å; F208-L212 VanDerWaalsContact O-CB 3.27Å; F208-L212 WeakPolarHBondContact O-CB 3.45Å; F208-L251 HydrophobicContact CD1-CD1 4.03Å; F208-L251 HydrophobicContact CE1-CD1 3.41Å; F208-L251 VanDerWaalsContact CE1-CD1 3.41Å; F208-L251 HydrophobicContact CE2-CD1 3.95Å; F208-L251 HydrophobicContact CZ-CD1 3.36Å; F208-V255 HydrophobicContact CD2-CG2 4.04Å; F208-V255 HydrophobicContact CE2-CG2 4.35Å; F208-V255 HydrophobicContact CG-CG2 4.36Å
209S84.2Confident87.8Confident80 Ų8035.3 Ų35.356%0.55919%0.193SC*.Hα-helixtrans-66.2-18.9176.558.60000114.6T205 M206 V207T205-S209 WeakPolarHBondContact O-CB 3.33Å; T205-S209 PolarHBondContact O-N 3.17Å; T205-S209 VanDerWaalsContact O-N 3.11Å; T205-S209 PolarHBondContact O-OG 3.01Å; M206-S209 PolarHBondContact O-OG 3.38Å; V207-S209 PolarHBondContact O-N 3.22Å
210R83.3Confident87.8Confident169 Ų16927.9 Ų27.964%0.63816%0.158SC*.Hα-helixtrans-130.2-25.3-177.4-64-175.6-177.7-167.60.9115.2V207 F208V207-R210 PolarHBondContact O-N 2.74Å; F208-R210 PolarHBondContact O-N 3.35Å
211H88.2Confident87.9Confident18 Ų1828.5 Ų28.58%0.08316%0.161CC..Hα-helixtrans-126.810.6-168.8-56.2-62.8000113.8V145 V207 G213 D214 V215V145-H211 HydrophobicContact CG1-CB 4.4Å; V145-H211 HydrophobicContact CG2-CB 3.96Å; V207-H211 WeakPolarHBondContact O-CA 3.4Å; V207-H211 WeakPolarHBondContact O-CB 3.44Å; V207-H211 PolarHBondContact O-N 3.05Å; H211-G213 VanDerWaalsContact C-N 3.34Å; H211-G213 PolarHBondContact O-N 3.14Å; H211-D214 IonicContact ND1-OD2 2.73Å; H211-D214 WeakPolarHBondContact O-CB 3.41Å; H211-D214 PolarHBondContact O-N 3.37Å; H211-V215 PolarHBondContact O-N 2.85Å
212L89.4Confident88Confident3 Ų325.7 Ų25.72%0.01614%0.136CC..Hα-helixtrans-55.3-47.6177.1179.869.3000112.1F208 D214 V215 M216 L251 V255 I259 E263F208-L212 HydrophobicContact CB-CB 4.27Å; F208-L212 HydrophobicContact CB-CD1 4.31Å; F208-L212 HydrophobicContact CD1-CD1 3.77Å; F208-L212 HydrophobicContact CE1-CD1 4.45Å; F208-L212 HydrophobicContact CG-CD1 4.18Å; F208-L212 VanDerWaalsContact O-CB 3.27Å; F208-L212 WeakPolarHBondContact O-CB 3.45Å; L212-D214 PolarHBondContact O-N 2.94Å; L212-V215 PolarHBondContact O-N 3.47Å; L212-M216 HydrophobicContact CD1-CG 4.15Å; L212-M216 HydrophobicContact CD1-SD 3.88Å; L212-M216 HydrophobicContact CD2-SD 4.09Å; L212-M216 HydrophobicContact CG-CG 4.27Å; L212-M216 HydrophobicContact CG-SD 3.65Å; L212-M216 VanDerWaalsContact O-CB 3.32Å; L212-M216 WeakPolarHBondContact O-CB 3.4Å; L212-M216 VanDerWaalsContact O-CG 3.28Å; L212-M216 WeakPolarHBondContact O-CG 3.22Å; L212-M216 PolarHBondContact O-N 3.46Å; L212-L251 HydrophobicContact CD1-CD1 3.96Å; L212-L251 HydrophobicContact CD1-CD2 4.02Å; L212-L251 HydrophobicContact CD1-CG 4.09Å; L212-V255 HydrophobicContact CD1-CG1 4.45Å; L212-V255 HydrophobicContact CD1-CG2 4.22Å; L212-V255 HydrophobicContact CD2-CG1 3.84Å; L212-I259 HydrophobicContact CD2-CB 4.43Å; L212-I259 HydrophobicContact CD2-CG2 3.74Å; L212-E263 HydrophobicContact CD2-CG 4.1Å; L212-E263 HydrophobicContact CG-CG 4.39Å
213G87.6Confident87.9Confident8 Ų824.1 Ų24.18%0.08213%0.128CC..Hα-helixtrans-59.6-29.8177.500000113.7H211 A217 E263H211-G213 VanDerWaalsContact C-N 3.34Å; H211-G213 PolarHBondContact O-N 3.14Å; G213-A217 WeakPolarHBondContact O-CB 3.49Å; G213-A217 PolarHBondContact O-N 3.18Å; G213-E263 WeakPolarHBondContact CA-OE2 3.33Å
214D89.6Confident87.8Confident5 Ų527.3 Ų27.33%0.02714%0.14CC..Hα-helixtrans-76.2-46.1178.4-61.7-40.9000111.9V145 V149 R164 H211 L212 M216 A217 A218V145-D214 HydrophobicContact CG1-CB 3.71Å; V145-D214 VanDerWaalsContact CG1-OD2 3.31Å; V145-D214 WeakPolarHBondContact CG1-OD2 3.44Å; V149-D214 HydrophobicContact CG1-CB 4.26Å; R164-D214 IonicContact CZ-OD1 3.37Å; R164-D214 VanDerWaalsContact CZ-OD1 3.29Å; R164-D214 IonicContact CZ-OD2 3.72Å; R164-D214 VanDerWaalsContact NH1-CG 3.33Å; R164-D214 IonicContact NH1-OD1 3.68Å; R164-D214 PolarHBondContact NH1-OD1 2.96Å; R164-D214 VanDerWaalsContact NH1-OD1 3.08Å; R164-D214 IonicContact NH1-OD2 3.18Å; R164-D214 PolarHBondContact NH1-OD2 3.14Å; R164-D214 IonicContact NH2-OD1 2.69Å; R164-D214 PolarHBondContact NH2-OD1 3.02Å; R164-D214 IonicContact NH2-OD2 2.67Å; H211-D214 IonicContact ND1-OD2 2.73Å; H211-D214 WeakPolarHBondContact O-CB 3.41Å; H211-D214 PolarHBondContact O-N 3.37Å; L212-D214 PolarHBondContact O-N 2.94Å; D214-M216 VanDerWaalsContact C-N 3.32Å; D214-A217 PolarHBondContact O-N 3.31Å; D214-A218 WeakPolarHBondContact O-CB 3.42Å; D214-A218 PolarHBondContact O-N 2.97Å
215V90.7Very high87.6Confident2 Ų229 Ų291%0.01215%0.147CC..Hα-helixtrans-63.2-41.2174.3177.30000110.4T191 L194 L195 V207 H211 L212 A218 L219 L251T191-V215 HydrophobicContact CG2-CG1 4.4Å; L194-V215 HydrophobicContact CD1-CG2 4.32Å; L195-V215 HydrophobicContact CD2-CG1 4.11Å; L195-V215 HydrophobicContact CG-CG1 4.44Å; V207-V215 HydrophobicContact CG1-CG2 4.38Å; H211-V215 PolarHBondContact O-N 2.85Å; L212-V215 PolarHBondContact O-N 3.47Å; V215-A218 PolarHBondContact O-N 3.45Å; V215-L219 HydrophobicContact CG1-CD1 3.99Å; V215-L219 HydrophobicContact CG1-CG 4.5Å; V215-L219 WeakPolarHBondContact O-CB 3.43Å; V215-L219 VanDerWaalsContact O-CG 3.29Å; V215-L219 WeakPolarHBondContact O-CG 3.46Å; V215-L219 PolarHBondContact O-N 2.93Å; V215-L251 HydrophobicContact CG1-CD2 3.99Å
216M90.9Very high86.9Confident1 Ų128.1 Ų28.11%0.00514%0.142CC..Hα-helixtrans-66.2-40.7175.1-73.6179.458.100112.4L212 D214 C220 L248 L251 L252 V260 E263 L264 L267L212-M216 HydrophobicContact CD1-CG 4.15Å; L212-M216 HydrophobicContact CD1-SD 3.88Å; L212-M216 HydrophobicContact CD2-SD 4.09Å; L212-M216 HydrophobicContact CG-CG 4.27Å; L212-M216 HydrophobicContact CG-SD 3.65Å; L212-M216 VanDerWaalsContact O-CB 3.32Å; L212-M216 WeakPolarHBondContact O-CB 3.4Å; L212-M216 VanDerWaalsContact O-CG 3.28Å; L212-M216 WeakPolarHBondContact O-CG 3.22Å; L212-M216 PolarHBondContact O-N 3.46Å; D214-M216 VanDerWaalsContact C-N 3.32Å; M216-C220 WeakPolarHBondContact O-CB 3.29Å; M216-C220 PolarHBondContact O-N 3.38Å; M216-C220 PolarHBondContact O-SG 3.42Å; M216-L248 HydrophobicContact CG-CD1 4.28Å; M216-L251 HydrophobicContact CG-CD2 3.84Å; M216-L252 HydrophobicContact CE-CD2 3.65Å; M216-L252 HydrophobicContact SD-CD2 4.43Å; M216-V260 HydrophobicContact CE-CG1 4.45Å; M216-E263 HydrophobicContact SD-CB 4.33Å; M216-L264 HydrophobicContact CE-CD2 3.61Å; M216-L264 HydrophobicContact CE-CG 3.67Å; M216-L267 HydrophobicContact CB-CD1 3.9Å
217A89.9Confident85.8Confident0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-59.6-47.7174.200000111.6L153 V157 G213 D214 C220 Q221 L267L153-A217 HydrophobicContact CD1-CB 3.86Å; L153-A217 HydrophobicContact CD2-CB 4.13Å; V157-A217 HydrophobicContact CG1-CB 4.04Å; G213-A217 WeakPolarHBondContact O-CB 3.49Å; G213-A217 PolarHBondContact O-N 3.18Å; D214-A217 PolarHBondContact O-N 3.31Å; A217-C220 PolarHBondContact O-N 3.42Å; A217-Q221 PolarHBondContact O-N 3.47Å; A217-L267 HydrophobicContact CB-CD2 3.81Å
218A89.8Confident84.2Confident0 Ų042.8 Ų42.80%020%0.201CC..Hα-helixtrans-61.7-48.1178.400000112.2V149 L153 L187 T191 D214 V215 C220 Q221 L222V149-A218 HydrophobicContact CG1-CB 4.03Å; L153-A218 HydrophobicContact CD2-CB 4.25Å; L187-A218 HydrophobicContact CD1-CB 3.77Å; L187-A218 HydrophobicContact CD2-CB 4.46Å; L187-A218 HydrophobicContact CG-CB 4.13Å; T191-A218 HydrophobicContact CG2-CB 4.26Å; T191-A218 WeakPolarHBondContact OG1-CB 3.48Å; D214-A218 WeakPolarHBondContact O-CB 3.42Å; D214-A218 PolarHBondContact O-N 2.97Å; V215-A218 PolarHBondContact O-N 3.45Å; A218-C220 PolarHBondContact O-N 2.99Å; A218-Q221 PolarHBondContact O-N 2.87Å; A218-L222 WeakPolarHBondContact O-CB 3.41Å; A218-L222 VanDerWaalsContact O-CG 3.27Å; A218-L222 WeakPolarHBondContact O-CG 3.49Å; A218-L222 PolarHBondContact O-N 3.02Å
219L90.6Very high82Confident0 Ų050.2 Ų50.20%024%0.236CC..Hα-helixtrans-64.2-37.2177.2-70.7171.7000112.8T191 L195 V215 Q221 G223 C244 A247 L248 L251T191-L219 HydrophobicContact CG2-CD2 3.7Å; T191-L219 HydrophobicContact CG2-CG 3.82Å; L195-L219 HydrophobicContact CD1-CD1 4.28Å; L195-L219 HydrophobicContact CD1-CD2 4.18Å; V215-L219 HydrophobicContact CG1-CD1 3.99Å; V215-L219 HydrophobicContact CG1-CG 4.5Å; V215-L219 WeakPolarHBondContact O-CB 3.43Å; V215-L219 VanDerWaalsContact O-CG 3.29Å; V215-L219 WeakPolarHBondContact O-CG 3.46Å; V215-L219 PolarHBondContact O-N 2.93Å; L219-Q221 VanDerWaalsContact C-N 3.35Å; L219-G223 PolarHBondContact O-N 3.35Å; L219-C244 HydrophobicContact CD2-CB 4.17Å; L219-A247 HydrophobicContact CD2-CB 4.11Å; L219-L248 HydrophobicContact CB-CB 4.16Å; L219-L248 HydrophobicContact CB-CD1 4.11Å; L219-L248 HydrophobicContact CD1-CB 4.28Å; L219-L248 HydrophobicContact CD1-CD1 4.24Å; L219-L251 HydrophobicContact CD1-CD2 3.94Å
220C89.3Confident79.9Confident0 Ų051.7 Ų51.70%024%0.238CC..Hα-helixtrans-61.6-43.4173-72.30000111.4M216 A217 A218 Y224 W290 L291 L294M216-C220 WeakPolarHBondContact O-CB 3.29Å; M216-C220 PolarHBondContact O-N 3.38Å; M216-C220 PolarHBondContact O-SG 3.42Å; A217-C220 PolarHBondContact O-N 3.42Å; A218-C220 PolarHBondContact O-N 2.99Å; C220-Y224 WeakPolarHBondContact O-CA 3.41Å; C220-Y224 WeakPolarHBondContact O-CB 3.39Å; C220-Y224 PolarHBondContact O-N 3.5Å; C220-W290 HydrophobicContact CB-CZ3 4.5Å; C220-L291 HydrophobicContact CB-CD1 3.81Å; C220-L294 HydrophobicContact CB-CD2 3.92Å
221Q89Confident77.8Confident23 Ų2355.5 Ų55.511%0.10725%0.252CS..Hα-helixtrans-68.3-54.7179.5-163.9179.6-3500111.9L153 V157 A217 A218 L219 G223 Y224 E225 W290L153-Q221 VanDerWaalsContact CA-OE1 3.24Å; V157-Q221 HydrophobicContact CG1-CB 4.43Å; A217-Q221 PolarHBondContact O-N 3.47Å; A218-Q221 PolarHBondContact O-N 2.87Å; L219-Q221 VanDerWaalsContact C-N 3.35Å; Q221-G223 PolarHBondContact O-N 2.93Å; Q221-Y224 PolarHBondContact O-N 3Å; Q221-E225 HydrophobicContact CG-CB 3.99Å; Q221-E225 HydrophobicContact CG-CG 4.4Å; Q221-E225 WeakPolarHBondContact CG-OE2 3.41Å; Q221-E225 PolarHBondContact NE2-OE2 3.07Å; Q221-E225 VanDerWaalsContact NE2-OE2 3.09Å; Q221-E225 WeakPolarHBondContact O-CB 3.44Å; Q221-E225 PolarHBondContact O-N 3.22Å; Q221-W290 HydrophobicContact CB-CH2 4.37Å
222L86.6Confident75.8Confident9 Ų965.6 Ų65.65%0.04729%0.29CS..Hα-helixtrans-60.4-32-179.7-65.3169.1000113L187 L188 A218 L236 C241 C244L187-L222 HydrophobicContact CB-CD2 4.4Å; L187-L222 HydrophobicContact CD2-CD2 4.11Å; L187-L222 HydrophobicContact CD2-CG 4.13Å; L187-L222 HydrophobicContact CG-CD1 4.22Å; L187-L222 HydrophobicContact CG-CD2 4.31Å; L187-L222 HydrophobicContact CG-CG 4.31Å; L188-L222 HydrophobicContact CB-CD1 4.25Å; L188-L222 HydrophobicContact CB-CD2 4.26Å; L188-L222 HydrophobicContact CD1-CD1 4.17Å; A218-L222 WeakPolarHBondContact O-CB 3.41Å; A218-L222 VanDerWaalsContact O-CG 3.27Å; A218-L222 WeakPolarHBondContact O-CG 3.49Å; A218-L222 PolarHBondContact O-N 3.02Å; L222-L236 HydrophobicContact CB-CD1 4.48Å; L222-L236 HydrophobicContact CD2-CD1 3.7Å; L222-C241 PolarHBondContact O-SG 3.48Å; L222-C244 HydrophobicContact CB-CB 4.17Å
223G84.6Confident73.9Confident8 Ų871.8 Ų71.88%0.08232%0.32CS..Hα-helixtrans-86.1-38.3178.500000114.8L219 Q221 K245L219-G223 PolarHBondContact O-N 3.35Å; Q221-G223 PolarHBondContact O-N 2.93Å; G223-K245 WeakPolarHBondContact O-CE 3.44Å; G223-K245 PolarHBondContact O-NZ 3.36Å
224Y84.1Confident72.1Confident66 Ų6679 Ų7926%0.25935%0.351SS..Hα-helixtrans-132.40.9-161.6-60.5-94.4000115.7C220 Q221 P226 K245 L248 L294C220-Y224 WeakPolarHBondContact O-CA 3.41Å; C220-Y224 WeakPolarHBondContact O-CB 3.39Å; C220-Y224 PolarHBondContact O-N 3.5Å; Q221-Y224 PolarHBondContact O-N 3Å; Y224-P226 WeakPolarHBondContact O-CD 3.36Å; Y224-K245 HydrophobicContact CD2-CG 4.35Å; Y224-K245 HydrophobicContact CE1-CD 4.28Å; Y224-K245 HydrophobicContact CE1-CG 4.29Å; Y224-K245 HydrophobicContact CE2-CB 4.42Å; Y224-K245 HydrophobicContact CE2-CD 4.49Å; Y224-K245 HydrophobicContact CE2-CG 3.67Å; Y224-L248 HydrophobicContact CE2-CD2 4.03Å; Y224-L294 HydrophobicContact CD1-CD1 3.83Å; Y224-L294 HydrophobicContact CD1-CD2 4.36Å; Y224-L294 HydrophobicContact CD2-CD1 4.12Å; Y224-L294 HydrophobicContact CD2-CD2 3.6Å; Y224-L294 HydrophobicContact CE1-CD1 3.79Å; Y224-L294 HydrophobicContact CE2-CD1 4.08Å; Y224-L294 HydrophobicContact CE2-CD2 4.2Å; Y224-L294 HydrophobicContact CG-CD1 3.99Å; Y224-L294 HydrophobicContact CG-CD2 3.68Å; Y224-L294 HydrophobicContact CG-CG 4.47Å
225E83.1Confident70.5Confident50 Ų5083.7 Ų83.723%0.23438%0.383CS..PPolyproline II helixtrans-65.6120175.2-174.1155.7-117.700110.3S154 Q221 H227 W290S154-E225 VanDerWaalsContact CB-OE1 3.32Å; S154-E225 WeakPolarHBondContact CB-OE1 3.44Å; S154-E225 PolarHBondContact OG-OE1 3.07Å; Q221-E225 HydrophobicContact CG-CB 3.99Å; Q221-E225 HydrophobicContact CG-CG 4.4Å; Q221-E225 WeakPolarHBondContact CG-OE2 3.41Å; Q221-E225 PolarHBondContact NE2-OE2 3.07Å; Q221-E225 VanDerWaalsContact NE2-OE2 3.09Å; Q221-E225 WeakPolarHBondContact O-CB 3.44Å; Q221-E225 PolarHBondContact O-N 3.22Å; E225-H227 PolarHBondContact O-N 3.26Å; E225-H227 VanDerWaalsContact O-N 3.17Å; E225-H227 PolarHBondContact O-ND1 3.06Å; E225-H227 VanDerWaalsContact O-ND1 3.15Å; E225-W290 HydrophobicContact CB-CH2 4.18Å; E225-W290 HydrophobicContact CB-CZ2 3.89Å; E225-W290 HydrophobicContact CG-CZ2 3.95Å
226P71.6Confident69.3Low76 Ų7685.4 Ų85.449%0.49439%0.392SS..PPolyproline II helixtrans-66.9118.7-17927.1-33.5000109.2Y224 R228 W290Y224-P226 WeakPolarHBondContact O-CD 3.36Å; P226-R228 PolarHBondContact O-N 2.94Å; P226-R228 VanDerWaalsContact O-N 3.15Å; P226-W290 VanDerWaalsContact CD-CG 3.4Å; P226-W290 HydrophobicContact CG-CB 4.12Å; P226-W290 HydrophobicContact CG-CG 3.95Å
227H63.8Low68.6Low139 Ų13987.4 Ų87.464%0.64441%0.406SS*.PPolyproline II helixtrans-61.5117.9-177-68.729.7000109.9E225E225-H227 PolarHBondContact O-N 3.26Å; E225-H227 VanDerWaalsContact O-N 3.17Å; E225-H227 PolarHBondContact O-ND1 3.06Å; E225-H227 VanDerWaalsContact O-ND1 3.15Å
228R53.2Low67.9Low206 Ų20693.1 Ų93.178%0.77744%0.441SS*.PPolyproline II helixtrans-78.7147.8164.8-72.6-175.9167.9-163.3-3.9109.1P226 D230P226-R228 PolarHBondContact O-N 2.94Å; P226-R228 VanDerWaalsContact O-N 3.15Å; R228-D230 HydrophobicContact CB-CB 4.48Å; R228-D230 PolarHBondContact O-N 2.91Å
229E42Very low67.5Low191 Ų19199.7 Ų99.789%0.89347%0.471SS*.  trans-73.416.7177.3-57.2-175.2131.300113.7R231E229-R231 PolarHBondContact O-N 3.03Å
230D41.4Very low67.1Low112 Ų112101 Ų10160%0.59948%0.478SS*.  trans-65.2102.2171.3-74.9-56000109.2R228 R232R228-D230 HydrophobicContact CB-CB 4.48Å; R228-D230 PolarHBondContact O-N 2.91Å; D230-R232 PolarHBondContact O-N 2.91Å
231R39.6Very low66.8Low248 Ų248101.7 Ų101.794%0.93648%0.482SS*.THydrogen-bonded Turntrans-64.233.2-171.8-58.9178.1171.4-178.9-4.4116.1E229E229-R231 PolarHBondContact O-N 3.03Å
232R46.3Very low66.7Low231 Ų231108.1 Ų108.187%0.87251%0.505SS*.THydrogen-bonded Turntrans-124.6-1.8-166.5-64.4-172.5179.1-166.60.1115.5D230D230-R232 PolarHBondContact O-N 2.91Å
233M47.5Very low66.9Low133 Ų133111.4 Ų111.466%0.65552%0.517SS*.SBendtrans-118.5134167-64.2-165.5-67.500109.4
234Q50.4Low67Low158 Ų158111.1 Ų111.174%0.73851%0.514SS*.PPolyproline II helixtrans-62.4128.8164.4-75.2175.1-35.600107.8
235P56.7Low67.2Low105 Ų105111.3 Ų111.368%0.68252%0.516SS*.PPolyproline II helixtrans-65.3140.1179.927.3-33.9000110.2
236L65.8Low67.5Low38 Ų38113.1 Ų113.120%0.19952%0.524CS..PPolyproline II helixtrans-62.7150.3167.4-68.3163.7000109.3L188 L222L188-L236 HydrophobicContact CB-CD2 4.47Å; L188-L236 HydrophobicContact CD2-CD2 4Å; L222-L236 HydrophobicContact CB-CD1 4.48Å; L222-L236 HydrophobicContact CD2-CD1 3.7Å
237S74.6Confident68.4Low43 Ų43110.1 Ų110.130%0.30151%0.506SS..PPolyproline II helixtrans-61.8144.9173176.50000110.1E239 E240 C241S237-E239 PolarHBondContact O-N 3.1Å; S237-E239 VanDerWaalsContact O-N 3.15Å; S237-E239 PolarHBondContact OG-N 2.91Å; S237-E240 PolarHBondContact N-OE2 2.95Å; S237-E240 VanDerWaalsContact N-OE2 3.08Å; S237-E240 WeakPolarHBondContact O-CB 3.35Å; S237-E240 PolarHBondContact O-N 3.25Å; S237-C241 PolarHBondContact O-N 3.33Å
238T76.2Confident69.7Low120 Ų120103.6 Ų103.674%0.73648%0.476SS*.Hα-helixtrans-58.2-27172.451.40000111.8R242T238-R242 WeakPolarHBondContact O-CB 3.45Å; T238-R242 PolarHBondContact O-N 3.5Å
239E80.4Confident71.4Confident137 Ų137100.6 Ų100.664%0.6447%0.465SS*.Hα-helixtrans-72.8-40173.3-59.2171.8151.900112S237 R242 W243S237-E239 PolarHBondContact O-N 3.1Å; S237-E239 VanDerWaalsContact O-N 3.15Å; S237-E239 PolarHBondContact OG-N 2.91Å; E239-R242 PolarHBondContact O-N 3.15Å; E239-W243 WeakPolarHBondContact O-CB 3.48Å; E239-W243 PolarHBondContact O-N 3.45Å
240E83.1Confident73.7Confident29 Ų2996.5 Ų96.514%0.13645%0.449CS..Hα-helixtrans-68-41.8176.2-69173.4147.900110.9R185 L188 S237 R242 W243 C244R185-E240 IonicContact CZ-OE1 3.54Å; R185-E240 VanDerWaalsContact NH1-CD 3.32Å; R185-E240 IonicContact NH1-OE1 3.6Å; R185-E240 PolarHBondContact NH1-OE1 2.82Å; R185-E240 IonicContact NH1-OE2 3.96Å; R185-E240 PolarHBondContact NH1-OE2 2.62Å; R185-E240 IonicContact NH2-OE1 3.86Å; L188-E240 HydrophobicContact CD2-CB 4.25Å; L188-E240 HydrophobicContact CD2-CG 4.16Å; S237-E240 PolarHBondContact N-OE2 2.95Å; S237-E240 VanDerWaalsContact N-OE2 3.08Å; S237-E240 WeakPolarHBondContact O-CB 3.35Å; S237-E240 PolarHBondContact O-N 3.25Å; E240-R242 VanDerWaalsContact C-N 3.32Å; E240-R242 PolarHBondContact O-N 3.05Å; E240-W243 PolarHBondContact O-N 3.36Å; E240-C244 PolarHBondContact O-N 3.2Å; E240-C244 PolarHBondContact O-SG 2.92Å
241C83.1Confident76Confident14 Ų1491.6 Ų91.610%0.09542%0.422CS..Hα-helixtrans-65.3-32.5172-68.40000112.6L222 S237 K245L222-C241 PolarHBondContact O-SG 3.48Å; S237-C241 PolarHBondContact O-N 3.33Å; C241-K245 VanDerWaalsContact O-CG 3.29Å; C241-K245 WeakPolarHBondContact O-CG 3.3Å; C241-K245 PolarHBondContact O-N 3.17Å
242R86.8Confident78.3Confident158 Ų15880 Ų8060%0.59638%0.379SS*.Hα-helixtrans-68-47.9171.8175.9179.8-76.2146.9-5.9110.6T238 E239 E240 C244 K245 E246T238-R242 WeakPolarHBondContact O-CB 3.45Å; T238-R242 PolarHBondContact O-N 3.5Å; E239-R242 PolarHBondContact O-N 3.15Å; E240-R242 VanDerWaalsContact C-N 3.32Å; E240-R242 PolarHBondContact O-N 3.05Å; R242-C244 VanDerWaalsContact C-N 3.32Å; R242-C244 PolarHBondContact O-N 3.19Å; R242-K245 WeakPolarHBondContact O-CB 3.38Å; R242-K245 PolarHBondContact O-N 3.45Å; R242-E246 WeakPolarHBondContact CD-OE1 3.4Å; R242-E246 WeakPolarHBondContact CG-OE1 3.45Å; R242-E246 PolarHBondContact O-N 3.36Å
243W90.9Very high80.2Confident78 Ų7871.8 Ų71.830%0.29537%0.367SS..Hα-helixtrans-56.7-42.2176176.286.2000112L188 R192 L195 E239 E240 K245 E246 A247L188-W243 HydrophobicContact CD1-CE3 4.16Å; L188-W243 HydrophobicContact CD1-CZ3 3.87Å; R192-W243 HydrophobicContact CB-CH2 3.72Å; R192-W243 HydrophobicContact CB-CZ2 4.38Å; R192-W243 HydrophobicContact CB-CZ3 4.32Å; R192-W243 HydrophobicContact CG-CH2 3.86Å; R192-W243 HydrophobicContact CG-CZ2 4.01Å; L195-W243 HydrophobicContact CD1-CH2 3.93Å; L195-W243 HydrophobicContact CD1-CZ2 4.37Å; E239-W243 WeakPolarHBondContact O-CB 3.48Å; E239-W243 PolarHBondContact O-N 3.45Å; E240-W243 PolarHBondContact O-N 3.36Å; W243-K245 VanDerWaalsContact C-N 3.31Å; W243-K245 PolarHBondContact O-N 3.15Å; W243-E246 PolarHBondContact O-N 2.75Å; W243-A247 HydrophobicContact CZ2-CB 4.44Å; W243-A247 VanDerWaalsContact O-CB 3.24Å; W243-A247 WeakPolarHBondContact O-CB 3.29Å; W243-A247 PolarHBondContact O-N 3.35Å
244C86.9Confident82Confident1 Ų174.1 Ų74.11%0.00737%0.373CS..Hα-helixtrans-62-33.9174.5-73.10000113.5L219 L222 E240 R242 L248L219-C244 HydrophobicContact CD2-CB 4.17Å; L222-C244 HydrophobicContact CB-CB 4.17Å; E240-C244 PolarHBondContact O-N 3.2Å; E240-C244 PolarHBondContact O-SG 2.92Å; R242-C244 VanDerWaalsContact C-N 3.32Å; R242-C244 PolarHBondContact O-N 3.19Å; C244-L248 WeakPolarHBondContact O-CB 3.38Å; C244-L248 PolarHBondContact O-N 3.38Å
245K88.1Confident83.7Confident70 Ų7067.5 Ų67.530%0.30434%0.343SS..Hα-helixtrans-70.7-39.4176.1-66.5170.3-175.7172.70112G223 Y224 C241 R242 W243 R249G223-K245 WeakPolarHBondContact O-CE 3.44Å; G223-K245 PolarHBondContact O-NZ 3.36Å; Y224-K245 HydrophobicContact CD2-CG 4.35Å; Y224-K245 HydrophobicContact CE1-CD 4.28Å; Y224-K245 HydrophobicContact CE1-CG 4.29Å; Y224-K245 HydrophobicContact CE2-CB 4.42Å; Y224-K245 HydrophobicContact CE2-CD 4.49Å; Y224-K245 HydrophobicContact CE2-CG 3.67Å; C241-K245 VanDerWaalsContact O-CG 3.29Å; C241-K245 WeakPolarHBondContact O-CG 3.3Å; C241-K245 PolarHBondContact O-N 3.17Å; R242-K245 WeakPolarHBondContact O-CB 3.38Å; R242-K245 PolarHBondContact O-N 3.45Å; W243-K245 VanDerWaalsContact C-N 3.31Å; W243-K245 PolarHBondContact O-N 3.15Å; K245-R249 WeakPolarHBondContact O-CG 3.45Å; K245-R249 PolarHBondContact O-N 3.02Å
246E90Very high85.1Confident88 Ų8868.3 Ų68.341%0.41133%0.334SS..Hα-helixtrans-72.3-43.7178.1-73.2160.2-164.700111.1R242 W243 L248 R249 N250R242-E246 WeakPolarHBondContact CD-OE1 3.4Å; R242-E246 WeakPolarHBondContact CG-OE1 3.45Å; R242-E246 PolarHBondContact O-N 3.36Å; W243-E246 PolarHBondContact O-N 2.75Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 2.93Å; E246-R249 PolarHBondContact O-N 2.88Å; E246-N250 WeakPolarHBondContact O-CB 3.41Å; E246-N250 PolarHBondContact O-N 2.96Å; E246-N250 PolarHBondContact O-ND2 2.95Å
247A89.6Confident86.3Confident14 Ų1468.7 Ų68.712%0.11633%0.334CS..Hα-helixtrans-57-43.817100000112.1L195 L219 W243 N250 L251L195-A247 HydrophobicContact CD1-CB 3.96Å; L219-A247 HydrophobicContact CD2-CB 4.11Å; W243-A247 HydrophobicContact CZ2-CB 4.44Å; W243-A247 VanDerWaalsContact O-CB 3.24Å; W243-A247 WeakPolarHBondContact O-CB 3.29Å; W243-A247 PolarHBondContact O-N 3.35Å; A247-N250 PolarHBondContact O-N 3.26Å; A247-L251 VanDerWaalsContact O-CB 3.3Å; A247-L251 WeakPolarHBondContact O-CB 3.49Å; A247-L251 PolarHBondContact O-N 3Å
248L91.3Very high87Confident1 Ų167 Ų671%0.00532%0.323CS..Hα-helixtrans-62.1-47.8175-176.160.7000111.7M216 L219 Y224 C244 E246 N250 L251 L252 L298M216-L248 HydrophobicContact CG-CD1 4.28Å; L219-L248 HydrophobicContact CB-CB 4.16Å; L219-L248 HydrophobicContact CB-CD1 4.11Å; L219-L248 HydrophobicContact CD1-CB 4.28Å; L219-L248 HydrophobicContact CD1-CD1 4.24Å; Y224-L248 HydrophobicContact CE2-CD2 4.03Å; C244-L248 WeakPolarHBondContact O-CB 3.38Å; C244-L248 PolarHBondContact O-N 3.38Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 2.93Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-N250 PolarHBondContact O-N 3.02Å; L248-L251 PolarHBondContact O-N 3.43Å; L248-L252 HydrophobicContact CD1-CD1 4.3Å; L248-L252 HydrophobicContact CD1-CG 4.21Å; L248-L252 HydrophobicContact CG-CD1 3.97Å; L248-L252 HydrophobicContact CG-CG 4.33Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 WeakPolarHBondContact O-CG 3.3Å; L248-L252 PolarHBondContact O-N 3.4Å; L248-L298 HydrophobicContact CD2-CD1 4.22Å
249R89.3Confident87.4Confident143 Ų14364.5 Ų64.554%0.5430%0.304SS..Hα-helixtrans-59.4-43.4177.1-74.5167.2173.9165.7-4.8112.3K245 E246 L252 G253K245-R249 WeakPolarHBondContact O-CG 3.45Å; K245-R249 PolarHBondContact O-N 3.02Å; E246-R249 PolarHBondContact O-N 2.88Å; R249-L252 PolarHBondContact O-N 3.01Å; R249-G253 PolarHBondContact O-N 2.94Å
250N89.8Confident87.8Confident105 Ų10558 Ų5856%0.56127%0.274SS*.Hα-helixtrans-65.2-39.7177.9-68.7-16.5000111.7E246 A247 L248 G253 K254E246-N250 WeakPolarHBondContact O-CB 3.41Å; E246-N250 PolarHBondContact O-N 2.96Å; E246-N250 PolarHBondContact O-ND2 2.95Å; A247-N250 PolarHBondContact O-N 3.26Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-N250 PolarHBondContact O-N 3.02Å; N250-G253 PolarHBondContact O-N 3.44Å; N250-K254 WeakPolarHBondContact O-CB 3.41Å; N250-K254 WeakPolarHBondContact O-CG 3.43Å; N250-K254 PolarHBondContact O-N 3.14Å
251L89.4Confident88.1Confident9 Ų956.7 Ų56.75%0.04727%0.268CS..Hα-helixtrans-64-48.6174.5-18064.6000111.6F208 L212 V215 M216 L219 A247 L248 G253 K254 V255F208-L251 HydrophobicContact CD1-CD1 4.03Å; F208-L251 HydrophobicContact CE1-CD1 3.41Å; F208-L251 VanDerWaalsContact CE1-CD1 3.41Å; F208-L251 HydrophobicContact CE2-CD1 3.95Å; F208-L251 HydrophobicContact CZ-CD1 3.36Å; L212-L251 HydrophobicContact CD1-CD1 3.96Å; L212-L251 HydrophobicContact CD1-CD2 4.02Å; L212-L251 HydrophobicContact CD1-CG 4.09Å; V215-L251 HydrophobicContact CG1-CD2 3.99Å; M216-L251 HydrophobicContact CG-CD2 3.84Å; L219-L251 HydrophobicContact CD1-CD2 3.94Å; A247-L251 VanDerWaalsContact O-CB 3.3Å; A247-L251 WeakPolarHBondContact O-CB 3.49Å; A247-L251 PolarHBondContact O-N 3Å; L248-L251 PolarHBondContact O-N 3.43Å; L251-G253 PolarHBondContact O-N 2.89Å; L251-K254 PolarHBondContact O-N 3.16Å; L251-V255 HydrophobicContact CD1-CG2 3.72Å; L251-V255 HydrophobicContact CG-CG2 4.45Å; L251-V255 WeakPolarHBondContact O-CG2 3.29Å; L251-V255 PolarHBondContact O-N 2.98Å
252L88.3Confident88.2Confident4 Ų460.3 Ų60.32%0.02128%0.282CS..Hα-helixtrans-59.8-32.1177.2-67.6170.5000112.3M216 L248 R249 Q257 V260 L264 L298M216-L252 HydrophobicContact CE-CD2 3.65Å; M216-L252 HydrophobicContact SD-CD2 4.43Å; L248-L252 HydrophobicContact CD1-CD1 4.3Å; L248-L252 HydrophobicContact CD1-CG 4.21Å; L248-L252 HydrophobicContact CG-CD1 3.97Å; L248-L252 HydrophobicContact CG-CG 4.33Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 WeakPolarHBondContact O-CG 3.3Å; L248-L252 PolarHBondContact O-N 3.4Å; R249-L252 PolarHBondContact O-N 3.01Å; L252-Q257 PolarHBondContact O-NE2 3.31Å; L252-V260 HydrophobicContact CD2-CG1 3.31Å; L252-L264 HydrophobicContact CD2-CD1 4.36Å; L252-L298 HydrophobicContact CD1-CD1 4.21Å; L252-L298 HydrophobicContact CD1-CD2 3.83Å
253G85.7Confident88.2Confident60 Ų6054.9 Ų54.962%0.61926%0.263SS*.Hα-helixtrans-80.1-31.3176.800000114.9R249 N250 L251R249-G253 PolarHBondContact O-N 2.94Å; N250-G253 PolarHBondContact O-N 3.44Å; L251-G253 PolarHBondContact O-N 2.89Å
254K85.7Confident88.1Confident182 Ų18251.2 Ų51.279%0.79125%0.249SC*.Hα-helixtrans-85-28.2-176.7-75.5-178.9177-171.40114.5N250 L251N250-K254 WeakPolarHBondContact O-CB 3.41Å; N250-K254 WeakPolarHBondContact O-CG 3.43Å; N250-K254 PolarHBondContact O-N 3.14Å; L251-K254 PolarHBondContact O-N 3.16Å
255V85.8Confident88Confident18 Ų1854.1 Ų54.111%0.10926%0.264CS..SBendtrans-89.3151.2-172.7179.40000111.7F208 L212 L251 Q257 V260F208-V255 HydrophobicContact CD2-CG2 4.04Å; F208-V255 HydrophobicContact CE2-CG2 4.35Å; F208-V255 HydrophobicContact CG-CG2 4.36Å; L212-V255 HydrophobicContact CD1-CG1 4.45Å; L212-V255 HydrophobicContact CD1-CG2 4.22Å; L212-V255 HydrophobicContact CD2-CG1 3.84Å; L251-V255 HydrophobicContact CD1-CG2 3.72Å; L251-V255 HydrophobicContact CG-CG2 4.45Å; L251-V255 WeakPolarHBondContact O-CG2 3.29Å; L251-V255 PolarHBondContact O-N 2.98Å; V255-Q257 PolarHBondContact O-N 3.26Å; V255-Q257 PolarHBondContact O-NE2 2.88Å; V255-Q257 VanDerWaalsContact O-NE2 3.13Å; V255-V260 HydrophobicContact CB-CG2 3.76Å; V255-V260 HydrophobicContact CG1-CG2 3.84Å
256Y87.3Confident87.8Confident122 Ų12254.1 Ų54.148%0.47827%0.27SS..  trans-58.1117.8178.2-177.4-129.3000111.7P258 I259 V260 R314Y256-P258 HydrophobicContact CD1-CB 4.48Å; Y256-P258 HydrophobicContact CD1-CG 4.2Å; Y256-P258 HydrophobicContact CE1-CB 4.1Å; Y256-P258 HydrophobicContact CE1-CG 3.65Å; Y256-P258 HydrophobicContact CE2-CG 4.05Å; Y256-I259 HydrophobicContact CD1-CD1 4.12Å; Y256-I259 HydrophobicContact CD1-CG1 3.99Å; Y256-I259 PolarHBondContact O-N 3.05Å; Y256-V260 PolarHBondContact O-N 2.91Å; Y256-R314 VanDerWaalsContact OH-CD 3.29Å; Y256-R314 WeakPolarHBondContact OH-CD 3.37Å; Y256-R314 PolarHBondContact OH-NH1 3.26Å
257Q90.1Very high87.6Confident46 Ų4650.3 Ų50.322%0.21525%0.253CS..Hα-helixtrans-57.3-37-164.3-63-58.3-39.900115.8L252 V255 I259 V260 V261 R302 A311L252-Q257 PolarHBondContact O-NE2 3.31Å; V255-Q257 PolarHBondContact O-N 3.26Å; V255-Q257 PolarHBondContact O-NE2 2.88Å; V255-Q257 VanDerWaalsContact O-NE2 3.13Å; Q257-I259 VanDerWaalsContact C-N 3.27Å; Q257-I259 PolarHBondContact O-N 3.3Å; Q257-V260 WeakPolarHBondContact O-CB 3.4Å; Q257-V260 PolarHBondContact O-N 2.92Å; Q257-V261 WeakPolarHBondContact O-CG2 3.4Å; Q257-V261 PolarHBondContact O-N 3.01Å; Q257-R302 VanDerWaalsContact OE1-CD 3.31Å; Q257-A311 HydrophobicContact CB-CB 3.68Å
258P88.6Confident87.3Confident8 Ų852.2 Ų52.25%0.05226%0.259CS..Hα-helixtrans-59.6-34.5174.7-27.537000114.1Y256 K262 A311 R314 A315Y256-P258 HydrophobicContact CD1-CB 4.48Å; Y256-P258 HydrophobicContact CD1-CG 4.2Å; Y256-P258 HydrophobicContact CE1-CB 4.1Å; Y256-P258 HydrophobicContact CE1-CG 3.65Å; Y256-P258 HydrophobicContact CE2-CG 4.05Å; P258-K262 VanDerWaalsContact O-CB 3.27Å; P258-K262 WeakPolarHBondContact O-CB 3.4Å; P258-K262 PolarHBondContact O-N 3Å; P258-A311 HydrophobicContact CG-CB 4.25Å; P258-R314 HydrophobicContact CB-CB 3.77Å; P258-R314 HydrophobicContact CG-CB 3.65Å; P258-R314 HydrophobicContact CG-CG 4.37Å; P258-A315 HydrophobicContact CB-CB 4.37Å; P258-A315 WeakPolarHBondContact O-CB 3.46Å
259I86Confident86.2Confident68 Ų6853.3 Ų53.335%0.34927%0.271SS..Hα-helixtrans-71.6-43.4177-49.8177.7000109.2L212 Y256 Q257 V261 K262 E263L212-I259 HydrophobicContact CD2-CB 4.43Å; L212-I259 HydrophobicContact CD2-CG2 3.74Å; Y256-I259 HydrophobicContact CD1-CD1 4.12Å; Y256-I259 HydrophobicContact CD1-CG1 3.99Å; Y256-I259 PolarHBondContact O-N 3.05Å; Q257-I259 VanDerWaalsContact C-N 3.27Å; Q257-I259 PolarHBondContact O-N 3.3Å; I259-V261 PolarHBondContact O-N 3.41Å; I259-K262 WeakPolarHBondContact O-CB 3.49Å; I259-K262 PolarHBondContact O-N 3.12Å; I259-E263 HydrophobicContact CG2-CG 4.49Å; I259-E263 WeakPolarHBondContact O-CG 3.34Å; I259-E263 PolarHBondContact O-N 2.92Å
260V88.9Confident84.8Confident1 Ų149 Ų491%0.00627%0.271CS..Hα-helixtrans-56.8-47.9175.1173.10000111.6M216 L252 V255 Y256 Q257 E263 L264M216-V260 HydrophobicContact CE-CG1 4.45Å; L252-V260 HydrophobicContact CD2-CG1 3.31Å; V255-V260 HydrophobicContact CB-CG2 3.76Å; V255-V260 HydrophobicContact CG1-CG2 3.84Å; Y256-V260 PolarHBondContact O-N 2.91Å; Q257-V260 WeakPolarHBondContact O-CB 3.4Å; Q257-V260 PolarHBondContact O-N 2.92Å; V260-E263 PolarHBondContact O-N 3.4Å; V260-L264 HydrophobicContact CG1-CD1 4.05Å; V260-L264 WeakPolarHBondContact O-CB 3.42Å; V260-L264 VanDerWaalsContact O-CG 3.31Å; V260-L264 WeakPolarHBondContact O-CG 3.47Å; V260-L264 PolarHBondContact O-N 2.69Å
261V88.1Confident82.8Confident1 Ų149.7 Ų49.71%0.00628%0.281CS..Hα-helixtrans-62.7-44.4176.7169.60000111.2Q257 I259 E263 L264 L265 L299 R302 V312 A315Q257-V261 WeakPolarHBondContact O-CG2 3.4Å; Q257-V261 PolarHBondContact O-N 3.01Å; I259-V261 PolarHBondContact O-N 3.41Å; V261-E263 PolarHBondContact O-N 3.01Å; V261-L264 PolarHBondContact O-N 2.71Å; V261-L265 HydrophobicContact CG1-CD1 3.87Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CG 3.48Å; V261-L265 PolarHBondContact O-N 3.46Å; V261-L299 HydrophobicContact CB-CD2 4.33Å; V261-L299 HydrophobicContact CG1-CD2 3.84Å; V261-L299 HydrophobicContact CG2-CD2 4.39Å; V261-R302 HydrophobicContact CG2-CB 4.46Å; V261-V312 HydrophobicContact CG1-CB 4.46Å; V261-V312 HydrophobicContact CG1-CG2 3.98Å; V261-V312 HydrophobicContact CG2-CG2 4.08Å; V261-A315 HydrophobicContact CB-CB 3.78Å; V261-A315 HydrophobicContact CG1-CB 3.55Å
262K85.9Confident80.6Confident89 Ų8957.9 Ų57.939%0.38732%0.317SS..Hα-helixtrans-58.5-48.4178.4-178.1-179.2178.3-178.60111.6P258 I259 L265 V266 A315P258-K262 VanDerWaalsContact O-CB 3.27Å; P258-K262 WeakPolarHBondContact O-CB 3.4Å; P258-K262 PolarHBondContact O-N 3Å; I259-K262 WeakPolarHBondContact O-CB 3.49Å; I259-K262 PolarHBondContact O-N 3.12Å; K262-L265 PolarHBondContact O-N 3.29Å; K262-V266 WeakPolarHBondContact O-CG2 3.3Å; K262-V266 PolarHBondContact O-N 3.41Å; K262-A315 HydrophobicContact CB-CB 4.33Å
263E86.6Confident78.2Confident45 Ų4566.3 Ų66.321%0.2136%0.356CS..Hα-helixtrans-67-37.9177.7-63.2-49.9120.200112L212 G213 M216 I259 V260 V261 L265 V266 L267L212-E263 HydrophobicContact CD2-CG 4.1Å; L212-E263 HydrophobicContact CG-CG 4.39Å; G213-E263 WeakPolarHBondContact CA-OE2 3.33Å; M216-E263 HydrophobicContact SD-CB 4.33Å; I259-E263 HydrophobicContact CG2-CG 4.49Å; I259-E263 WeakPolarHBondContact O-CG 3.34Å; I259-E263 PolarHBondContact O-N 2.92Å; V260-E263 PolarHBondContact O-N 3.4Å; V261-E263 PolarHBondContact O-N 3.01Å; E263-L265 VanDerWaalsContact C-N 3.35Å; E263-L265 PolarHBondContact O-N 3.26Å; E263-V266 PolarHBondContact O-N 2.98Å; E263-L267 WeakPolarHBondContact O-CB 3.18Å; E263-L267 VanDerWaalsContact O-CG 3.25Å; E263-L267 WeakPolarHBondContact O-CG 3.42Å; E263-L267 PolarHBondContact O-N 3.15Å
264L88.1Confident75.7Confident0 Ų069.3 Ų69.30%037%0.367CS..Hα-helixtrans-62.9-37.5173.5-74.8172.5000113M216 L252 V260 V261 L267 Q268 C295 L298 L299M216-L264 HydrophobicContact CE-CD2 3.61Å; M216-L264 HydrophobicContact CE-CG 3.67Å; L252-L264 HydrophobicContact CD2-CD1 4.36Å; V260-L264 HydrophobicContact CG1-CD1 4.05Å; V260-L264 WeakPolarHBondContact O-CB 3.42Å; V260-L264 VanDerWaalsContact O-CG 3.31Å; V260-L264 WeakPolarHBondContact O-CG 3.47Å; V260-L264 PolarHBondContact O-N 2.69Å; V261-L264 PolarHBondContact O-N 2.71Å; L264-L267 PolarHBondContact O-N 2.85Å; L264-Q268 WeakPolarHBondContact O-CB 3.49Å; L264-Q268 PolarHBondContact O-N 3.47Å; L264-C295 HydrophobicContact CD2-CB 4.48Å; L264-L298 HydrophobicContact CD1-CB 3.95Å; L264-L298 HydrophobicContact CD2-CB 4.18Å; L264-L298 HydrophobicContact CD2-CD1 4.01Å; L264-L299 HydrophobicContact CB-CD1 4.24Å; L264-L299 HydrophobicContact CB-CD2 3.65Å; L264-L299 HydrophobicContact CB-CG 3.79Å; L264-L299 HydrophobicContact CD1-CD2 4.08Å; L264-L299 HydrophobicContact CD1-CG 4.17Å
265L85.6Confident73.3Confident62 Ų6263.3 Ų63.333%0.32536%0.358SS..Hα-helixtrans-67.3-38.1174.4-72.2168.3000111.8V261 K262 E263 G269 L299 V316V261-L265 HydrophobicContact CG1-CD1 3.87Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CG 3.48Å; V261-L265 PolarHBondContact O-N 3.46Å; K262-L265 PolarHBondContact O-N 3.29Å; E263-L265 VanDerWaalsContact C-N 3.35Å; E263-L265 PolarHBondContact O-N 3.26Å; L265-G269 PolarHBondContact O-N 3.3Å; L265-L299 HydrophobicContact CD2-CD1 3.81Å; L265-L299 HydrophobicContact CD2-CD2 4.46Å; L265-L299 HydrophobicContact CG-CD1 4.25Å; L265-L299 HydrophobicContact CG-CD2 4.23Å; L265-V316 HydrophobicContact CD1-CG2 4.03Å
266V84.5Confident70.7Confident71 Ų7168.1 Ų68.143%0.4339%0.389SS..Hα-helixtrans-64.7-45.6173.1171.40000111V159 K262 E263 G269V159-V266 HydrophobicContact CG2-CG1 3.88Å; K262-V266 WeakPolarHBondContact O-CG2 3.3Å; K262-V266 PolarHBondContact O-N 3.41Å; E263-V266 PolarHBondContact O-N 2.98Å; V266-G269 PolarHBondContact O-N 2.89Å
267L84.2Confident68.2Low7 Ų767.9 Ų67.94%0.03741%0.412CS..Hα-helixtrans-69.5-31.3179.6-69.1173.3000113.6M216 A217 E263 L264 G269 A287M216-L267 HydrophobicContact CB-CD1 3.9Å; A217-L267 HydrophobicContact CB-CD2 3.81Å; E263-L267 WeakPolarHBondContact O-CB 3.18Å; E263-L267 VanDerWaalsContact O-CG 3.25Å; E263-L267 WeakPolarHBondContact O-CG 3.42Å; E263-L267 PolarHBondContact O-N 3.15Å; L264-L267 PolarHBondContact O-N 2.85Å; L267-G269 VanDerWaalsContact C-N 3.28Å; L267-A287 WeakPolarHBondContact O-CB 3.45Å
268Q83.9Confident65.6Low54 Ų5469.6 Ų69.625%0.25244%0.442SS..Hα-helixtrans-67.1-32.9171.4-167.3173.849.200111.4L264 A287 R292 C295L264-Q268 WeakPolarHBondContact O-CB 3.49Å; L264-Q268 PolarHBondContact O-N 3.47Å; Q268-A287 WeakPolarHBondContact O-CB 3.49Å; Q268-R292 HydrophobicContact CG-CB 4.38Å; Q268-R292 HydrophobicContact CG-CG 4.18Å; Q268-R292 PolarHBondContact NE2-O 3.03Å; Q268-R292 WeakPolarHBondContact O-CD 3.47Å; Q268-R292 WeakPolarHBondContact O-CG 3.14Å; Q268-C295 HydrophobicContact CB-CB 3.79Å; Q268-C295 HydrophobicContact CG-CB 4.19Å
269G69.3Low62.8Low24 Ų2473.4 Ų73.425%0.24747%0.469CS..  trans71.7127.8-175.100000111.9L265 V266 L267L265-G269 PolarHBondContact O-N 3.3Å; V266-G269 PolarHBondContact O-N 2.89Å; L267-G269 VanDerWaalsContact C-N 3.28Å
270G59.7Low60.3Low54 Ų5475.9 Ų75.956%0.55749%0.493SS*.  trans-55.9156.4-177.500000113.9
271P46.6Very low57.6Low119 Ų11986.7 Ų86.777%0.77353%0.533SS*.  trans-55.6145.6-179.824.2-34.4000111.2Q273P271-Q273 PolarHBondContact O-N 2.74Å
272K44.1Very low55Low181 Ų18190.5 Ų90.579%0.78757%0.565SS**  trans-58.997.6178.5-71.8-176.3176.5-176.80110.1S274K272-S274 PolarHBondContact O-N 2.9Å; K272-S274 VanDerWaalsContact O-N 3.1Å
273Q38.7Very low52.7Low180 Ų18089.5 Ų89.584%0.84157%0.573SS**  trans-66.9109.8171.2-68.8-174.5-3.400108.7P271 G275P271-Q273 PolarHBondContact O-N 2.74Å; Q273-G275 PolarHBondContact O-N 3.02Å
274S33Very low50.7Low123 Ų12393.7 Ų93.786%0.8660%0.596SS**  trans-75.967.1175.754.80000110.7K272K272-S274 PolarHBondContact O-N 2.9Å; K272-S274 VanDerWaalsContact O-N 3.1Å
275G34.1Very low49.1Very low57 Ų5796.2 Ų96.259%0.58862%0.623SS**  trans-69.2152.9169.900000111.5Q273Q273-G275 PolarHBondContact O-N 3.02Å
276P31Very low48.2Very low119 Ų11995.8 Ų95.877%0.77363%0.625SS**  trans-63.7146.5176.927.7-34.8000111.4G278P276-G278 PolarHBondContact O-N 2.86Å; P276-G278 VanDerWaalsContact O-N 3.08Å
277A36.1Very low47.9Very low116 Ų11692.6 Ų92.696%0.95961%0.606SS**THydrogen-bonded Turntrans-64.6109178.500000110.6
278G34Very low47.9Very low82 Ų8293.4 Ų93.485%0.84561%0.612SS**THydrogen-bonded Turntrans157.1-26.8179.500000114.8P276P276-G278 PolarHBondContact O-N 2.86Å; P276-G278 VanDerWaalsContact O-N 3.08Å
279S31.3Very low47.8Very low89 Ų8993.2 Ų93.262%0.62262%0.619SS**  trans-80.8131.4174.7-170.90000111.6R281S279-R281 PolarHBondContact O-N 3.36Å
280S32.3Very low48.7Very low120 Ų12094 Ų9484%0.83962%0.615SS**SBendtrans-71.411.9-176.255.30000115.6A282S280-A282 PolarHBondContact O-N 3.13Å
281R33.6Very low50Low227 Ų22791.4 Ų91.486%0.85759%0.588SS**  trans-7445.8165.7-72.6-176.8169.1169-2111.9S279 A283S279-R281 PolarHBondContact O-N 3.36Å; R281-A283 PolarHBondContact O-N 2.74Å; R281-A283 VanDerWaalsContact O-N 3.17Å
282A32.1Very low51.8Low81 Ų8190.3 Ų90.367%0.66957%0.569SS**  trans-64.8114.1-178.500000110.7S280S280-A282 PolarHBondContact O-N 3.13Å
283A38.3Very low53.8Low68 Ų6889.3 Ų89.356%0.56256%0.56SS**  trans49.1106.4173.600000116.5R163 R281 G285R163-A283 PolarHBondContact NH1-O 2.92Å; R163-A283 VanDerWaalsContact NH1-O 3.11Å; R163-A283 PolarHBondContact NH2-O 3.35Å; R281-A283 PolarHBondContact O-N 2.74Å; R281-A283 VanDerWaalsContact O-N 3.17Å; A283-G285 PolarHBondContact O-N 3.46Å
284L45.3Very low56.1Low133 Ų13381 Ų8170%0.69652%0.521SS*.  -61.4126.5125.3-82.581.3000106.5S286L284-S286 PolarHBondContact O-N 3Å
285G53.9Low58.7Low54 Ų5475.2 Ų75.256%0.55748%0.48SS*.  trans-61108.1164.800000107.2A283 A287A283-G285 PolarHBondContact O-N 3.46Å; G285-A287 PolarHBondContact O-N 3.28Å
286S65.8Low61.2Low53 Ų5372.9 Ų72.937%0.37146%0.457SS..PPolyproline II helixtrans-60.4123.4-179.1-177.10000108.3L284L284-S286 PolarHBondContact O-N 3Å
287A78.3Confident63.9Low4 Ų471.8 Ų71.83%0.03344%0.441CS..PPolyproline II helixtrans-52.3146.8-173.400000111.4G156 L267 Q268 G285 L291 R292G156-A287 WeakPolarHBondContact O-CA 3.38Å; L267-A287 WeakPolarHBondContact O-CB 3.45Å; Q268-A287 WeakPolarHBondContact O-CB 3.49Å; G285-A287 PolarHBondContact O-N 3.28Å; A287-L291 HydrophobicContact CB-CD2 4.31Å; A287-R292 HydrophobicContact CB-CG 3.83Å; A287-R292 WeakPolarHBondContact O-CD 3.28Å; A287-R292 PolarHBondContact O-NE 2.96Å
288P84.3Confident66.4Low24 Ų2466.4 Ų66.416%0.15640%0.397CS..PPolyproline II helixtrans-48.7143.6-176-31.535.7000113.1G156 V157 W290 L291 R292G156-P288 VanDerWaalsContact O-CD 3.25Å; G156-P288 WeakPolarHBondContact O-CD 3.42Å; V157-P288 HydrophobicContact CG2-CG 3.97Å; P288-W290 HydrophobicContact CB-CD2 4.4Å; P288-W290 HydrophobicContact CB-CG 4.16Å; P288-W290 VanDerWaalsContact CB-NE1 3.32Å; P288-W290 PolarHBondContact O-N 3.31Å; P288-L291 HydrophobicContact CB-CB 4.31Å; P288-L291 PolarHBondContact O-N 3.42Å; P288-R292 PolarHBondContact O-N 3.16Å
289A83.3Confident69Low50 Ų5063.6 Ų63.641%0.41336%0.362SS..THydrogen-bonded Turntrans-64.2-13.7-176.500000113.7R293A289-R293 PolarHBondContact O-NE 3.4Å; A289-R293 PolarHBondContact O-NH2 3.17Å
290W87.6Confident71.7Confident39 Ų3959.9 Ų59.915%0.14834%0.336CS..THydrogen-bonded Turntrans-79.8-50.7167.466.2-99.9000110.9V157 C220 Q221 E225 P226 P288 R292 R293 L294V157-W290 HydrophobicContact CG2-CH2 4.23Å; V157-W290 HydrophobicContact CG2-CZ2 3.82Å; C220-W290 HydrophobicContact CB-CZ3 4.5Å; Q221-W290 HydrophobicContact CB-CH2 4.37Å; E225-W290 HydrophobicContact CB-CH2 4.18Å; E225-W290 HydrophobicContact CB-CZ2 3.89Å; E225-W290 HydrophobicContact CG-CZ2 3.95Å; P226-W290 VanDerWaalsContact CD-CG 3.4Å; P226-W290 HydrophobicContact CG-CB 4.12Å; P226-W290 HydrophobicContact CG-CG 3.95Å; P288-W290 HydrophobicContact CB-CD2 4.4Å; P288-W290 HydrophobicContact CB-CG 4.16Å; P288-W290 VanDerWaalsContact CB-NE1 3.32Å; P288-W290 PolarHBondContact O-N 3.31Å; W290-R292 VanDerWaalsContact C-N 3.33Å; W290-R292 PolarHBondContact O-N 3.35Å; W290-R293 WeakPolarHBondContact O-CB 3.12Å; W290-R293 PolarHBondContact O-N 3.08Å; W290-L294 HydrophobicContact CZ3-CD2 4.36Å; W290-L294 PolarHBondContact O-N 3.44Å
291L86.2Confident74.3Confident0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-60.2-41.3-179.7-176.460000111.7V157 C220 A287 P288 R293 L294 C295V157-L291 HydrophobicContact CB-CD2 4.31Å; V157-L291 HydrophobicContact CG1-CD2 4.15Å; V157-L291 HydrophobicContact CG2-CD2 4.05Å; C220-L291 HydrophobicContact CB-CD1 3.81Å; A287-L291 HydrophobicContact CB-CD2 4.31Å; P288-L291 HydrophobicContact CB-CB 4.31Å; P288-L291 PolarHBondContact O-N 3.42Å; L291-R293 VanDerWaalsContact C-N 3.27Å; L291-R293 PolarHBondContact O-N 2.95Å; L291-L294 HydrophobicContact CD1-CD2 4.39Å; L291-L294 PolarHBondContact O-N 3.07Å; L291-C295 WeakPolarHBondContact O-CB 3.4Å; L291-C295 PolarHBondContact O-N 2.96Å; L291-C295 PolarHBondContact O-SG 2.91Å; L291-C295 VanDerWaalsContact O-SG 3.4Å
292R85.6Confident77Confident97 Ų9748.4 Ų48.437%0.36628%0.278SS..Hα-helixtrans-62.8-31.2176.5-73.1-167.7-70.1102.62.3114.3Q268 A287 P288 W290 G296Q268-R292 HydrophobicContact CG-CB 4.38Å; Q268-R292 HydrophobicContact CG-CG 4.18Å; Q268-R292 PolarHBondContact NE2-O 3.03Å; Q268-R292 WeakPolarHBondContact O-CD 3.47Å; Q268-R292 WeakPolarHBondContact O-CG 3.14Å; A287-R292 HydrophobicContact CB-CG 3.83Å; A287-R292 WeakPolarHBondContact O-CD 3.28Å; A287-R292 PolarHBondContact O-NE 2.96Å; P288-R292 PolarHBondContact O-N 3.16Å; W290-R292 VanDerWaalsContact C-N 3.33Å; W290-R292 PolarHBondContact O-N 3.35Å; R292-G296 PolarHBondContact O-N 2.96Å
293R85.6Confident79.7Confident159 Ų15945 Ų4560%0.625%0.248SC*.Hα-helixtrans-74.4-44.9172.9-82.7179.7-82.5177-7.1110.7A289 W290 L291 G296 Q297A289-R293 PolarHBondContact O-NE 3.4Å; A289-R293 PolarHBondContact O-NH2 3.17Å; W290-R293 WeakPolarHBondContact O-CB 3.12Å; W290-R293 PolarHBondContact O-N 3.08Å; L291-R293 VanDerWaalsContact C-N 3.27Å; L291-R293 PolarHBondContact O-N 2.95Å; R293-G296 PolarHBondContact O-N 3.04Å; R293-Q297 WeakPolarHBondContact O-CG 3.44Å; R293-Q297 PolarHBondContact O-N 3.11Å
294L87.1Confident82.1Confident7 Ų744.1 Ų44.14%0.03723%0.233CC..Hα-helixtrans-60.2-52.4176.5179.865.9000112.2C220 Y224 W290 L291 G296 Q297 L298C220-L294 HydrophobicContact CB-CD2 3.92Å; Y224-L294 HydrophobicContact CD1-CD1 3.83Å; Y224-L294 HydrophobicContact CD1-CD2 4.36Å; Y224-L294 HydrophobicContact CD2-CD1 4.12Å; Y224-L294 HydrophobicContact CD2-CD2 3.6Å; Y224-L294 HydrophobicContact CE1-CD1 3.79Å; Y224-L294 HydrophobicContact CE2-CD1 4.08Å; Y224-L294 HydrophobicContact CE2-CD2 4.2Å; Y224-L294 HydrophobicContact CG-CD1 3.99Å; Y224-L294 HydrophobicContact CG-CD2 3.68Å; Y224-L294 HydrophobicContact CG-CG 4.47Å; W290-L294 HydrophobicContact CZ3-CD2 4.36Å; W290-L294 PolarHBondContact O-N 3.44Å; L291-L294 HydrophobicContact CD1-CD2 4.39Å; L291-L294 PolarHBondContact O-N 3.07Å; L294-G296 VanDerWaalsContact C-N 3.26Å; L294-G296 PolarHBondContact O-N 3.48Å; L294-Q297 WeakPolarHBondContact O-CB 3.18Å; L294-Q297 PolarHBondContact O-N 3.18Å; L294-Q297 VanDerWaalsContact O-N 3.16Å; L294-L298 HydrophobicContact CD1-CD1 4.13Å; L294-L298 HydrophobicContact CD1-CG 4.26Å; L294-L298 HydrophobicContact CG-CD1 3.99Å; L294-L298 HydrophobicContact CG-CG 4.46Å; L294-L298 WeakPolarHBondContact O-CG 3.19Å; L294-L298 PolarHBondContact O-N 3.48Å
295C87.9Confident84.2Confident0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-60.8-36.6176.6-640000111.5L264 Q268 L291 L298 L299L264-C295 HydrophobicContact CD2-CB 4.48Å; Q268-C295 HydrophobicContact CB-CB 3.79Å; Q268-C295 HydrophobicContact CG-CB 4.19Å; L291-C295 WeakPolarHBondContact O-CB 3.4Å; L291-C295 PolarHBondContact O-N 2.96Å; L291-C295 PolarHBondContact O-SG 2.91Å; L291-C295 VanDerWaalsContact O-SG 3.4Å; C295-L298 PolarHBondContact O-N 3.28Å; C295-L299 VanDerWaalsContact O-CB 3.23Å; C295-L299 WeakPolarHBondContact O-CB 3.44Å; C295-L299 WeakPolarHBondContact O-CD1 3.35Å; C295-L299 WeakPolarHBondContact O-CG 3.38Å; C295-L299 PolarHBondContact O-N 3.1Å
296G86.6Confident85.7Confident9 Ų944.8 Ų44.89%0.09323%0.229CC..Hα-helixtrans-64.6-40.8173.900000113.5R292 R293 L294 S300R292-G296 PolarHBondContact O-N 2.96Å; R293-G296 PolarHBondContact O-N 3.04Å; L294-G296 VanDerWaalsContact C-N 3.26Å; L294-G296 PolarHBondContact O-N 3.48Å; G296-S300 WeakPolarHBondContact O-CB 3.19Å; G296-S300 PolarHBondContact O-N 3.05Å; G296-S300 PolarHBondContact O-OG 2.8Å
297Q87.2Confident86.7Confident95 Ų9545.6 Ų45.644%0.44423%0.234SC..Hα-helixtrans-62.6-52.7172.5-72.9171.1-42.300110.8R293 L294 L299 S300 E301 Q347R293-Q297 WeakPolarHBondContact O-CG 3.44Å; R293-Q297 PolarHBondContact O-N 3.11Å; L294-Q297 WeakPolarHBondContact O-CB 3.18Å; L294-Q297 PolarHBondContact O-N 3.18Å; L294-Q297 VanDerWaalsContact O-N 3.16Å; Q297-L299 PolarHBondContact O-N 2.92Å; Q297-S300 WeakPolarHBondContact O-CB 3.27Å; Q297-S300 PolarHBondContact O-N 3.38Å; Q297-S300 VanDerWaalsContact O-N 3.11Å; Q297-E301 WeakPolarHBondContact O-CG 3.47Å; Q297-E301 PolarHBondContact O-N 3.43Å; Q297-Q347 HydrophobicContact CG-CB 4.13Å; Q297-Q347 HydrophobicContact CG-CG 3.76Å
298L88.4Confident87.2Confident4 Ų445.7 Ų45.72%0.02124%0.235CC..Hα-helixtrans-61.7-41-179-65.5174.6000112.2L248 L252 L264 L294 C295 E301 R302L248-L298 HydrophobicContact CD2-CD1 4.22Å; L252-L298 HydrophobicContact CD1-CD1 4.21Å; L252-L298 HydrophobicContact CD1-CD2 3.83Å; L264-L298 HydrophobicContact CD1-CB 3.95Å; L264-L298 HydrophobicContact CD2-CB 4.18Å; L264-L298 HydrophobicContact CD2-CD1 4.01Å; L294-L298 HydrophobicContact CD1-CD1 4.13Å; L294-L298 HydrophobicContact CD1-CG 4.26Å; L294-L298 HydrophobicContact CG-CD1 3.99Å; L294-L298 HydrophobicContact CG-CG 4.46Å; L294-L298 WeakPolarHBondContact O-CG 3.19Å; L294-L298 PolarHBondContact O-N 3.48Å; C295-L298 PolarHBondContact O-N 3.28Å; L298-E301 PolarHBondContact O-N 3.01Å; L298-R302 WeakPolarHBondContact O-CG 3.32Å; L298-R302 PolarHBondContact O-N 3.14Å; L298-R302 PolarHBondContact O-NH1 3.07Å
299L88.6Confident87.5Confident22 Ų2244.5 Ų44.512%0.11523%0.228CC..Hα-helixtrans-62.5-42.3173.3-76.9166.8000111.8V261 L264 L265 C295 Q297 R302 L303V261-L299 HydrophobicContact CB-CD2 4.33Å; V261-L299 HydrophobicContact CG1-CD2 3.84Å; V261-L299 HydrophobicContact CG2-CD2 4.39Å; L264-L299 HydrophobicContact CB-CD1 4.24Å; L264-L299 HydrophobicContact CB-CD2 3.65Å; L264-L299 HydrophobicContact CB-CG 3.79Å; L264-L299 HydrophobicContact CD1-CD2 4.08Å; L264-L299 HydrophobicContact CD1-CG 4.17Å; L265-L299 HydrophobicContact CD2-CD1 3.81Å; L265-L299 HydrophobicContact CD2-CD2 4.46Å; L265-L299 HydrophobicContact CG-CD1 4.25Å; L265-L299 HydrophobicContact CG-CD2 4.23Å; C295-L299 VanDerWaalsContact O-CB 3.23Å; C295-L299 WeakPolarHBondContact O-CB 3.44Å; C295-L299 WeakPolarHBondContact O-CD1 3.35Å; C295-L299 WeakPolarHBondContact O-CG 3.38Å; C295-L299 PolarHBondContact O-N 3.1Å; Q297-L299 PolarHBondContact O-N 2.92Å; L299-R302 PolarHBondContact O-N 3.27Å; L299-L303 VanDerWaalsContact O-CB 3.3Å; L299-L303 WeakPolarHBondContact O-CB 3.45Å; L299-L303 PolarHBondContact O-N 3.4Å
300S88.1Confident87.8Confident12 Ų1244.3 Ų44.38%0.08422%0.218CC..Hα-helixtrans-64.3-42.8177-56.80000111.6G296 Q297 L303 M304 P345G296-S300 WeakPolarHBondContact O-CB 3.19Å; G296-S300 PolarHBondContact O-N 3.05Å; G296-S300 PolarHBondContact O-OG 2.8Å; Q297-S300 WeakPolarHBondContact O-CB 3.27Å; Q297-S300 PolarHBondContact O-N 3.38Å; Q297-S300 VanDerWaalsContact O-N 3.11Å; S300-L303 PolarHBondContact O-N 2.66Å; S300-M304 WeakPolarHBondContact O-CE 3.48Å; S300-M304 WeakPolarHBondContact O-CG 3.28Å; S300-M304 PolarHBondContact O-N 3.38Å; S300-P345 WeakPolarHBondContact OG-CB 3.41Å
301E87.7Confident87.8Confident79 Ų7943 Ų4337%0.36922%0.215SC..Hα-helixtrans-60.5-43.5174.2-68.9177-166.900112.5Q297 L298 Q305Q297-E301 WeakPolarHBondContact O-CG 3.47Å; Q297-E301 PolarHBondContact O-N 3.43Å; L298-E301 PolarHBondContact O-N 3.01Å; E301-Q305 WeakPolarHBondContact O-CG 3.23Å; E301-Q305 PolarHBondContact O-N 3.49Å
302R89.6Confident87.9Confident26 Ų2643.6 Ų43.610%0.09822%0.219CC..Hα-helixtrans-69-35.5178-62.2-55.873.769.2-10.2111.6Q257 V261 L298 L299 Q305 G308Q257-R302 VanDerWaalsContact OE1-CD 3.31Å; V261-R302 HydrophobicContact CG2-CB 4.46Å; L298-R302 WeakPolarHBondContact O-CG 3.32Å; L298-R302 PolarHBondContact O-N 3.14Å; L298-R302 PolarHBondContact O-NH1 3.07Å; L299-R302 PolarHBondContact O-N 3.27Å; R302-Q305 PolarHBondContact O-N 2.94Å; R302-G308 WeakPolarHBondContact O-CA 3.3Å
303L89.4Confident88Confident10 Ų1039 Ų395%0.05220%0.202CC..Hα-helixtrans-65.3-37.5176.5176.960.2000112.6L299 S300 Q305 V309 V312 L341 Y354 V358L299-L303 VanDerWaalsContact O-CB 3.3Å; L299-L303 WeakPolarHBondContact O-CB 3.45Å; L299-L303 PolarHBondContact O-N 3.4Å; S300-L303 PolarHBondContact O-N 2.66Å; L303-Q305 VanDerWaalsContact C-N 3.32Å; L303-V309 HydrophobicContact CD1-CB 4.28Å; L303-V309 HydrophobicContact CD1-CG2 3.79Å; L303-V312 HydrophobicContact CD1-CG2 4.08Å; L303-L341 HydrophobicContact CD1-CD2 3.62Å; L303-L341 HydrophobicContact CD2-CD2 4.26Å; L303-Y354 HydrophobicContact CD2-CE2 4.06Å; L303-V358 HydrophobicContact CG-CG2 4.43Å
304M88.3Confident88Confident50 Ų5033.5 Ų33.525%0.24618%0.181CC..THydrogen-bonded Turntrans-82-3.7179.1-66.8-176.4-63.600114.2S300 Y354 L357S300-M304 WeakPolarHBondContact O-CE 3.48Å; S300-M304 WeakPolarHBondContact O-CG 3.28Å; S300-M304 PolarHBondContact O-N 3.38Å; M304-Y354 HydrophobicContact CG-CD2 4.04Å; M304-Y354 HydrophobicContact CG-CE2 4.43Å; M304-Y354 HydrophobicContact SD-CD2 4.02Å; M304-L357 HydrophobicContact CB-CD1 4.19Å
305Q89Confident87.9Confident82 Ų8233.6 Ų33.638%0.38318%0.183SC..SBendtrans-77.7158.9171.9-82174.2-22.800111.3E301 R302 L303 S307 G308 Q361E301-Q305 WeakPolarHBondContact O-CG 3.23Å; E301-Q305 PolarHBondContact O-N 3.49Å; R302-Q305 PolarHBondContact O-N 2.94Å; L303-Q305 VanDerWaalsContact C-N 3.32Å; Q305-S307 PolarHBondContact O-N 3.29Å; Q305-G308 WeakPolarHBondContact O-CA 3.32Å; Q305-G308 PolarHBondContact O-N 2.87Å; Q305-Q361 PolarHBondContact O-NE2 2.85Å; Q305-Q361 PolarHBondContact O-OE1 3.16Å
306P85.8Confident87.6Confident119 Ų11935.9 Ų35.977%0.77320%0.197SC*.THydrogen-bonded Turntrans-58.4136.9173.225.1-35000110.9G308P306-G308 PolarHBondContact O-N 2.74Å; P306-G308 VanDerWaalsContact O-N 3.11Å
307S86.4Confident87.1Confident70 Ų7036.1 Ų36.149%0.4920%0.196SC..THydrogen-bonded Turntrans56.513.7-169.2-58.20000115Q305 Q310 A311 Q361Q305-S307 PolarHBondContact O-N 3.29Å; S307-Q310 WeakPolarHBondContact O-CB 3.33Å; S307-Q310 PolarHBondContact O-N 2.79Å; S307-A311 PolarHBondContact O-N 3.02Å; S307-Q361 VanDerWaalsContact N-OE1 3.12Å
308G88.8Confident86.5Confident5 Ų535.9 Ų35.95%0.05220%0.195CC..Hα-helixtrans-62.6-41.5176.700000113R302 Q305 P306 A311 V312R302-G308 WeakPolarHBondContact O-CA 3.3Å; Q305-G308 WeakPolarHBondContact O-CA 3.32Å; Q305-G308 PolarHBondContact O-N 2.87Å; P306-G308 PolarHBondContact O-N 2.74Å; P306-G308 VanDerWaalsContact O-N 3.11Å; G308-A311 PolarHBondContact O-N 3.36Å; G308-V312 WeakPolarHBondContact O-CG2 3.26Å; G308-V312 PolarHBondContact O-N 2.97Å
309V91Very high84.9Confident0 Ų037.2 Ų37.20%021%0.209CC..Hα-helixtrans-62.1-47.6175.1-174.50000110.1L303 A311 V312 V313 L341 V358 Q361 I362 L365L303-V309 HydrophobicContact CD1-CB 4.28Å; L303-V309 HydrophobicContact CD1-CG2 3.79Å; V309-A311 VanDerWaalsContact C-N 3.28Å; V309-A311 PolarHBondContact O-N 3.42Å; V309-V312 PolarHBondContact O-N 3.07Å; V309-V312 VanDerWaalsContact O-N 3.15Å; V309-V313 WeakPolarHBondContact O-CG2 3.45Å; V309-V313 PolarHBondContact O-N 3.17Å; V309-L341 HydrophobicContact CG1-CD1 3.7Å; V309-L341 HydrophobicContact CG1-CD2 3.85Å; V309-L341 HydrophobicContact CG1-CG 4.45Å; V309-V358 HydrophobicContact CG2-CB 4.47Å; V309-V358 HydrophobicContact CG2-CG1 3.95Å; V309-V358 HydrophobicContact CG2-CG2 4.44Å; V309-Q361 HydrophobicContact CB-CB 3.92Å; V309-Q361 HydrophobicContact CG2-CB 3.59Å; V309-Q361 HydrophobicContact CG2-CG 4.29Å; V309-Q361 VanDerWaalsContact N-OE1 3.09Å; V309-I362 HydrophobicContact CG1-CG1 4.31Å; V309-L365 HydrophobicContact CG1-CD1 3.8Å
310Q89.3Confident83.2Confident45 Ų4538.5 Ų38.521%0.2123%0.228CC..Hα-helixtrans-58.4-39.7176.4-169.7-166.910.300111.9S307 V313 R314 L365 F377S307-Q310 WeakPolarHBondContact O-CB 3.33Å; S307-Q310 PolarHBondContact O-N 2.79Å; Q310-V313 PolarHBondContact O-N 3.17Å; Q310-R314 WeakPolarHBondContact O-CG 3.42Å; Q310-R314 PolarHBondContact O-N 3.5Å; Q310-L365 HydrophobicContact CB-CD2 4.18Å; Q310-L365 HydrophobicContact CG-CD2 4.17Å; Q310-F377 HydrophobicContact CG-CE1 4.06Å
311A87.2Confident80.6Confident11 Ų1144.7 Ų44.79%0.09127%0.265CS..Hα-helixtrans-65.9-37.7177.200000112.9Q257 P258 S307 G308 V309 A315Q257-A311 HydrophobicContact CB-CB 3.68Å; P258-A311 HydrophobicContact CG-CB 4.25Å; S307-A311 PolarHBondContact O-N 3.02Å; G308-A311 PolarHBondContact O-N 3.36Å; V309-A311 VanDerWaalsContact C-N 3.28Å; V309-A311 PolarHBondContact O-N 3.42Å; A311-A315 WeakPolarHBondContact O-CB 3.44Å; A311-A315 PolarHBondContact O-N 3.45Å
312V88.4Confident78.1Confident13 Ų1344.9 Ų44.98%0.07929%0.289CS..Hα-helixtrans-68.2-42.3174.3174.40000111.7V261 L303 G308 V309 A315 V316V261-V312 HydrophobicContact CG1-CB 4.46Å; V261-V312 HydrophobicContact CG1-CG2 3.98Å; V261-V312 HydrophobicContact CG2-CG2 4.08Å; L303-V312 HydrophobicContact CD1-CG2 4.08Å; G308-V312 WeakPolarHBondContact O-CG2 3.26Å; G308-V312 PolarHBondContact O-N 2.97Å; V309-V312 PolarHBondContact O-N 3.07Å; V309-V312 VanDerWaalsContact O-N 3.15Å; V312-A315 PolarHBondContact O-N 3.31Å; V312-V316 PolarHBondContact O-N 2.85Å
313V87.4Confident75.4Confident0 Ų047.6 Ų47.60%032%0.317CS..Hα-helixtrans-58.8-48.6175.2173.50000110.6V309 Q310 V316 L317 V337 L365 F377 V380V309-V313 WeakPolarHBondContact O-CG2 3.45Å; V309-V313 PolarHBondContact O-N 3.17Å; Q310-V313 PolarHBondContact O-N 3.17Å; V313-V316 PolarHBondContact O-N 3.34Å; V313-L317 HydrophobicContact CG1-CD1 3.65Å; V313-L317 HydrophobicContact CG1-CG 4.47Å; V313-L317 WeakPolarHBondContact O-CB 3.42Å; V313-L317 WeakPolarHBondContact O-CG 3.39Å; V313-L317 PolarHBondContact O-N 3.42Å; V313-L317 VanDerWaalsContact O-N 3.08Å; V313-V337 HydrophobicContact CG2-CG1 4.1Å; V313-L365 HydrophobicContact CG2-CD1 3.97Å; V313-F377 HydrophobicContact CG1-CD1 4.06Å; V313-F377 HydrophobicContact CG1-CD2 3.74Å; V313-F377 HydrophobicContact CG1-CE1 3.98Å; V313-F377 HydrophobicContact CG1-CE2 3.67Å; V313-F377 HydrophobicContact CG1-CG 3.93Å; V313-F377 HydrophobicContact CG1-CZ 3.78Å; V313-V380 HydrophobicContact CG1-CG2 4.45Å; V313-V380 HydrophobicContact CG2-CB 4.49Å; V313-V380 HydrophobicContact CG2-CG1 3.92Å
314R86.3Confident72.9Confident45 Ų4552.8 Ų52.817%0.1735%0.351CS..Hα-helixtrans-55.9-52.3173.3-79-164.5160.1135.1-1112.5Y256 P258 Q310 V316 L317 E318 D370 F377Y256-R314 VanDerWaalsContact OH-CD 3.29Å; Y256-R314 WeakPolarHBondContact OH-CD 3.37Å; Y256-R314 PolarHBondContact OH-NH1 3.26Å; P258-R314 HydrophobicContact CB-CB 3.77Å; P258-R314 HydrophobicContact CG-CB 3.65Å; P258-R314 HydrophobicContact CG-CG 4.37Å; Q310-R314 WeakPolarHBondContact O-CG 3.42Å; Q310-R314 PolarHBondContact O-N 3.5Å; R314-V316 PolarHBondContact O-N 3.02Å; R314-V316 VanDerWaalsContact O-N 3.16Å; R314-L317 PolarHBondContact O-N 3.2Å; R314-E318 HydrophobicContact CB-CG 4.38Å; R314-E318 WeakPolarHBondContact CB-OE2 3.41Å; R314-E318 WeakPolarHBondContact CD-OE1 3.41Å; R314-E318 HydrophobicContact CG-CG 4.46Å; R314-E318 VanDerWaalsContact CG-OE1 3.28Å; R314-E318 WeakPolarHBondContact CG-OE1 3.46Å; R314-E318 IonicContact NE-OE1 3.32Å; R314-E318 PolarHBondContact NE-OE1 2.83Å; R314-E318 VanDerWaalsContact NE-OE1 3.13Å; R314-E318 VanDerWaalsContact O-CB 3.28Å; R314-E318 WeakPolarHBondContact O-CB 3.47Å; R314-E318 PolarHBondContact O-N 3.45Å; R314-D370 IonicContact NH2-OD2 2.73Å; R314-D370 PolarHBondContact NH2-OD2 3.03Å; R314-F377 HydrophobicContact CG-CE1 4.34Å; R314-F377 HydrophobicContact CG-CZ 3.7Å
315A83.8Confident70.6Confident9 Ų954.7 Ų54.77%0.07437%0.374CS..Hα-helixtrans-55.8-35.8-17600000114.1P258 V261 K262 A311 V312P258-A315 HydrophobicContact CB-CB 4.37Å; P258-A315 WeakPolarHBondContact O-CB 3.46Å; V261-A315 HydrophobicContact CB-CB 3.78Å; V261-A315 HydrophobicContact CG1-CB 3.55Å; K262-A315 HydrophobicContact CB-CB 4.33Å; A311-A315 WeakPolarHBondContact O-CB 3.44Å; A311-A315 PolarHBondContact O-N 3.45Å; V312-A315 PolarHBondContact O-N 3.31Å
316V82.8Confident68.4Low47 Ų4754.3 Ų54.329%0.28539%0.393SS..Hα-helixtrans-88.7-32.9-177.3178.90000112.7L265 V312 V313 R314 K333 V337L265-V316 HydrophobicContact CD1-CG2 4.03Å; V312-V316 PolarHBondContact O-N 2.85Å; V313-V316 PolarHBondContact O-N 3.34Å; R314-V316 PolarHBondContact O-N 3.02Å; R314-V316 VanDerWaalsContact O-N 3.16Å; V316-K333 HydrophobicContact CG1-CB 4.35Å; V316-V337 HydrophobicContact CB-CG2 3.85Å; V316-V337 HydrophobicContact CG1-CG2 3.68Å; V316-V337 HydrophobicContact CG2-CG2 4.05Å
317L76.7Confident66.3Low14 Ų1450.2 Ų50.27%0.07337%0.372CS..Hα-helixtrans-90.7-47.7-176.4-62.1179.6000113.1V313 R314 G319 K333 Q376 F377 V380V313-L317 HydrophobicContact CG1-CD1 3.65Å; V313-L317 HydrophobicContact CG1-CG 4.47Å; V313-L317 WeakPolarHBondContact O-CB 3.42Å; V313-L317 WeakPolarHBondContact O-CG 3.39Å; V313-L317 PolarHBondContact O-N 3.42Å; V313-L317 VanDerWaalsContact O-N 3.08Å; R314-L317 PolarHBondContact O-N 3.2Å; L317-G319 PolarHBondContact O-N 2.93Å; L317-K333 HydrophobicContact CD2-CB 3.75Å; L317-K333 HydrophobicContact CD2-CD 4.18Å; L317-Q376 HydrophobicContact CD1-CB 3.82Å; L317-F377 HydrophobicContact CD1-CD2 4.31Å; L317-F377 HydrophobicContact CD1-CE2 4.3Å; L317-V380 HydrophobicContact CD1-CG2 4.36Å
318E73.4Confident64.5Low91 Ų9151.7 Ų51.743%0.42537%0.374SS..THydrogen-bonded Turntrans-71.6-9.6-179.6-57.8175.7165.800112.3R314 G320R314-E318 HydrophobicContact CB-CG 4.38Å; R314-E318 WeakPolarHBondContact CB-OE2 3.41Å; R314-E318 WeakPolarHBondContact CD-OE1 3.41Å; R314-E318 HydrophobicContact CG-CG 4.46Å; R314-E318 VanDerWaalsContact CG-OE1 3.28Å; R314-E318 WeakPolarHBondContact CG-OE1 3.46Å; R314-E318 IonicContact NE-OE1 3.32Å; R314-E318 PolarHBondContact NE-OE1 2.83Å; R314-E318 VanDerWaalsContact NE-OE1 3.13Å; R314-E318 VanDerWaalsContact O-CB 3.28Å; R314-E318 WeakPolarHBondContact O-CB 3.47Å; R314-E318 PolarHBondContact O-N 3.45Å; E318-G320 VanDerWaalsContact C-N 3.26Å; E318-G320 PolarHBondContact O-N 3.31Å
319G55.4Low63Low32 Ų3254.4 Ų54.433%0.3339%0.393SS..THydrogen-bonded Turntrans-72.3-4.2-17600000116.6L317L317-G319 PolarHBondContact O-N 2.93Å
320G52Low62Low48 Ų4855.8 Ų55.850%0.49540%0.4SS..SBendtrans-83.6125.3-179.100000113.5E318 G322E318-G320 VanDerWaalsContact C-N 3.26Å; E318-G320 PolarHBondContact O-N 3.31Å; G320-G322 PolarHBondContact O-N 3.26Å
321T34.5Very low61.4Low142 Ų14258.4 Ų58.487%0.87141%0.408SS*.  trans-72.195.5-178.950.70000112.8A323T321-A323 PolarHBondContact O-N 3.19Å
322G35.4Very low61.2Low84 Ų8464.6 Ų64.687%0.86643%0.429SS*.SBendtrans64.78.6156.900000117.7G320G320-G322 PolarHBondContact O-N 3.26Å
323A32.3Very low60.9Low83 Ų8366.8 Ų66.869%0.68644%0.437SS*.  trans-73.6140171.200000109.8T321T321-A323 PolarHBondContact O-N 3.19Å
324P37.1Very low60.8Low119 Ų11967 Ų6777%0.77344%0.438SS*.  trans-62.3139.7-179.825.7-34.1000111.2G326P324-G326 PolarHBondContact O-N 3.2Å; P324-G326 VanDerWaalsContact O-N 3.13Å
325A40.8Very low60.7Low89 Ų8965.8 Ų65.874%0.73644%0.435SS*.SBendtrans-62.7113.7177.600000110
326G41Very low60.7Low75 Ų7567 Ų6777%0.77345%0.446SS*.  trans150.715.4-170.600000115.4P324P324-G326 PolarHBondContact O-N 3.2Å; P324-G326 VanDerWaalsContact O-N 3.13Å
327G43.4Very low60.9Low32 Ų3264.9 Ų64.933%0.3343%0.433SS..  trans-88.2137178.200000113.1S329 D330G327-S329 PolarHBondContact O-N 2.79Å; G327-D330 WeakPolarHBondContact O-CB 3.14Å; G327-D330 PolarHBondContact O-N 3.08Å
328D47.4Very low61.5Low102 Ų10264.2 Ų64.255%0.54543%0.43SS..THydrogen-bonded Turntrans-60.4-6.2171.8-174.355.3000113.6D330 W331 R332D328-D330 VanDerWaalsContact C-N 3.32Å; D328-W331 VanDerWaalsContact O-CD1 3.26Å; D328-W331 PolarHBondContact O-NE1 2.68Å; D328-W331 VanDerWaalsContact OD1-CD1 3.31Å; D328-W331 PolarHBondContact OD1-NE1 3.26Å; D328-R332 IonicContact OD2-CZ 3.4Å; D328-R332 IonicContact OD2-NE 3.26Å; D328-R332 IonicContact OD2-NH2 2.68Å; D328-R332 PolarHBondContact OD2-NH2 3.45Å
329S57.9Low62.2Low62 Ų6265.8 Ų65.843%0.43443%0.432SS..THydrogen-bonded Turntrans-65.1-31.1166.748.80000113.9G327 R332 K333G327-S329 PolarHBondContact O-N 2.79Å; S329-R332 PolarHBondContact O-N 3.22Å; S329-K333 PolarHBondContact O-N 2.97Å
330D69Low63.6Low28 Ų2868.6 Ų68.615%0.1544%0.438CS..Hα-helixtrans-81.1-33.9-155.4-62.7-15.6000112.5G327 D328 R332 K333 C334G327-D330 WeakPolarHBondContact O-CB 3.14Å; G327-D330 PolarHBondContact O-N 3.08Å; D328-D330 VanDerWaalsContact C-N 3.32Å; D330-R332 PolarHBondContact O-N 2.71Å; D330-K333 WeakPolarHBondContact O-CB 3.24Å; D330-K333 PolarHBondContact O-N 3.06Å; D330-K333 VanDerWaalsContact O-N 3.14Å; D330-K333 VanDerWaalsContact OD1-CE 3.32Å; D330-K333 WeakPolarHBondContact OD1-CE 3.49Å; D330-K333 IonicContact OD1-NZ 2.66Å; D330-K333 PolarHBondContact OD1-NZ 3.34Å; D330-C334 PolarHBondContact O-N 2.86Å; D330-C334 PolarHBondContact O-SG 3.49Å; D330-C334 VanDerWaalsContact O-SG 3.35Å
331W77.3Confident65.4Low100 Ų10066.3 Ų66.338%0.37941%0.414SS..Hα-helixtrans-64-31.2172.274-97.7000112.7D328 K333 C334 D335D328-W331 VanDerWaalsContact O-CD1 3.26Å; D328-W331 PolarHBondContact O-NE1 2.68Å; D328-W331 VanDerWaalsContact OD1-CD1 3.31Å; D328-W331 PolarHBondContact OD1-NE1 3.26Å; W331-K333 VanDerWaalsContact C-N 3.33Å; W331-C334 PolarHBondContact O-N 3.12Å; W331-D335 WeakPolarHBondContact O-CB 3.38Å; W331-D335 PolarHBondContact O-N 2.88Å
332R82.4Confident67.9Low141 Ų14159.6 Ų59.653%0.53237%0.373SS..Hα-helixtrans-71.2-30.4176.9-52.3-175.1-162.2-160.23.8111.5D328 S329 D330 A336D328-R332 IonicContact OD2-CZ 3.4Å; D328-R332 IonicContact OD2-NE 3.26Å; D328-R332 IonicContact OD2-NH2 2.68Å; D328-R332 PolarHBondContact OD2-NH2 3.45Å; S329-R332 PolarHBondContact O-N 3.22Å; D330-R332 PolarHBondContact O-N 2.71Å; R332-A336 VanDerWaalsContact O-CB 3.29Å; R332-A336 WeakPolarHBondContact O-CB 3.24Å; R332-A336 PolarHBondContact O-N 3.46Å; R332-A336 VanDerWaalsContact O-N 3.07Å
333K83.4Confident70.3Confident60 Ų6058.1 Ų58.126%0.26135%0.353SS..Hα-helixtrans-65.9-48167.8-57.4170.6-171.6162.20110.1V316 L317 S329 D330 W331 D335 A336 V337V316-K333 HydrophobicContact CG1-CB 4.35Å; L317-K333 HydrophobicContact CD2-CB 3.75Å; L317-K333 HydrophobicContact CD2-CD 4.18Å; S329-K333 PolarHBondContact O-N 2.97Å; D330-K333 WeakPolarHBondContact O-CB 3.24Å; D330-K333 PolarHBondContact O-N 3.06Å; D330-K333 VanDerWaalsContact O-N 3.14Å; D330-K333 VanDerWaalsContact OD1-CE 3.32Å; D330-K333 WeakPolarHBondContact OD1-CE 3.49Å; D330-K333 IonicContact OD1-NZ 2.66Å; D330-K333 PolarHBondContact OD1-NZ 3.34Å; W331-K333 VanDerWaalsContact C-N 3.33Å; K333-D335 PolarHBondContact O-N 3.43Å; K333-A336 PolarHBondContact O-N 3.16Å; K333-V337 WeakPolarHBondContact O-CG2 3.49Å; K333-V337 PolarHBondContact O-N 3.48Å
334C84.8Confident72.6Confident3 Ų356 Ų562%0.0233%0.333CS..Hα-helixtrans-58.9-45.6179.4-60.30000112.4D330 W331 V337 A338 R379 V380D330-C334 PolarHBondContact O-N 2.86Å; D330-C334 PolarHBondContact O-SG 3.49Å; D330-C334 VanDerWaalsContact O-SG 3.35Å; W331-C334 PolarHBondContact O-N 3.12Å; C334-V337 PolarHBondContact O-N 3.38Å; C334-A338 WeakPolarHBondContact O-CB 3.21Å; C334-A338 PolarHBondContact O-N 3.12Å; C334-R379 HydrophobicContact CB-CG 4.32Å; C334-V380 HydrophobicContact CB-CG2 3.68Å
335D84.7Confident74.7Confident20 Ų2051.3 Ų51.311%0.10730%0.302CS..Hα-helixtrans-66.2-36.6177.1177.688.9000112.8W331 K333 A338 R339 R383W331-D335 WeakPolarHBondContact O-CB 3.38Å; W331-D335 PolarHBondContact O-N 2.88Å; K333-D335 PolarHBondContact O-N 3.43Å; D335-A338 PolarHBondContact O-N 3.46Å; D335-R339 PolarHBondContact O-N 3.41Å; D335-R339 PolarHBondContact O-NE 2.87Å; D335-R339 IonicContact OD2-CZ 2.71Å; D335-R339 IonicContact OD2-NE 2.69Å; D335-R339 PolarHBondContact OD2-NE 2.91Å; D335-R339 IonicContact OD2-NH2 3.36Å; D335-R339 PolarHBondContact OD2-NH2 3.13Å; D335-R383 IonicContact OD1-CZ 3.79Å; D335-R383 VanDerWaalsContact OD1-CZ 3.24Å; D335-R383 IonicContact OD1-NE 3.81Å; D335-R383 PolarHBondContact OD1-NE 3.41Å; D335-R383 IonicContact OD1-NH2 2.67Å; D335-R383 PolarHBondContact OD1-NH2 3.04Å
336A83.9Confident76.2Confident36 Ų3656 Ų5630%0.29831%0.309SS..Hα-helixtrans-65.9-40.9173.700000112.4R332 K333 I340R332-A336 VanDerWaalsContact O-CB 3.29Å; R332-A336 WeakPolarHBondContact O-CB 3.24Å; R332-A336 PolarHBondContact O-N 3.46Å; R332-A336 VanDerWaalsContact O-N 3.07Å; K333-A336 PolarHBondContact O-N 3.16Å; A336-I340 WeakPolarHBondContact O-CD1 3.33Å; A336-I340 VanDerWaalsContact O-CG1 3.32Å; A336-I340 WeakPolarHBondContact O-CG1 3.49Å; A336-I340 PolarHBondContact O-N 3.01Å; A336-I340 VanDerWaalsContact O-N 3.13Å
337V87.3Confident77.6Confident2 Ų256.4 Ų56.41%0.01229%0.291CS..Hα-helixtrans-66-45.7174.2176.70000110.6V313 V316 K333 C334 R339 I340 L341 V380V313-V337 HydrophobicContact CG2-CG1 4.1Å; V316-V337 HydrophobicContact CB-CG2 3.85Å; V316-V337 HydrophobicContact CG1-CG2 3.68Å; V316-V337 HydrophobicContact CG2-CG2 4.05Å; K333-V337 WeakPolarHBondContact O-CG2 3.49Å; K333-V337 PolarHBondContact O-N 3.48Å; C334-V337 PolarHBondContact O-N 3.38Å; V337-R339 VanDerWaalsContact C-N 3.3Å; V337-R339 PolarHBondContact O-N 3.5Å; V337-I340 WeakPolarHBondContact O-CA 3.37Å; V337-I340 WeakPolarHBondContact O-CB 3.31Å; V337-I340 PolarHBondContact O-N 3.27Å; V337-L341 HydrophobicContact CG1-CD1 4.21Å; V337-L341 HydrophobicContact CG1-CG 4.36Å; V337-L341 WeakPolarHBondContact O-CG 3.41Å; V337-L341 PolarHBondContact O-N 3.36Å; V337-V380 HydrophobicContact CB-CG1 4.34Å; V337-V380 HydrophobicContact CG1-CG1 3.84Å
338A88.4Confident79Confident0 Ų056.1 Ų56.10%028%0.284CS..Hα-helixtrans-55.4-43176.900000112.9C334 D335 L341 A342 R383 A384C334-A338 WeakPolarHBondContact O-CB 3.21Å; C334-A338 PolarHBondContact O-N 3.12Å; D335-A338 PolarHBondContact O-N 3.46Å; A338-L341 PolarHBondContact O-N 3.17Å; A338-A342 PolarHBondContact O-N 3.23Å; A338-R383 HydrophobicContact CB-CB 3.8Å; A338-R383 HydrophobicContact CB-CG 3.57Å; A338-A384 HydrophobicContact CB-CB 4.02Å
339R87.5Confident80.3Confident124 Ų12456.7 Ų56.747%0.46830%0.302SS..Hα-helixtrans-68.2-30.4174.5-75-176.8-75.8121-4.2113.6D335 V337 L341 A343D335-R339 PolarHBondContact O-N 3.41Å; D335-R339 PolarHBondContact O-NE 2.87Å; D335-R339 IonicContact OD2-CZ 2.71Å; D335-R339 IonicContact OD2-NE 2.69Å; D335-R339 PolarHBondContact OD2-NE 2.91Å; D335-R339 IonicContact OD2-NH2 3.36Å; D335-R339 PolarHBondContact OD2-NH2 3.13Å; V337-R339 VanDerWaalsContact C-N 3.3Å; V337-R339 PolarHBondContact O-N 3.5Å; R339-L341 VanDerWaalsContact C-N 3.33Å; R339-A343 WeakPolarHBondContact O-CB 3.47Å; R339-A343 PolarHBondContact O-N 2.95Å; R339-A343 VanDerWaalsContact O-N 3.09Å
340I85.8Confident81.6Confident90 Ų9056.5 Ų56.546%0.46230%0.301SS..Hα-helixtrans-68.4-33.7171.4-69.5163.5000111.3A336 V337A336-I340 WeakPolarHBondContact O-CD1 3.33Å; A336-I340 VanDerWaalsContact O-CG1 3.32Å; A336-I340 WeakPolarHBondContact O-CG1 3.49Å; A336-I340 PolarHBondContact O-N 3.01Å; A336-I340 VanDerWaalsContact O-N 3.13Å; V337-I340 WeakPolarHBondContact O-CA 3.37Å; V337-I340 WeakPolarHBondContact O-CB 3.31Å; V337-I340 PolarHBondContact O-N 3.27Å
341L88.4Confident82.4Confident0 Ų056.9 Ų56.90%031%0.308CS..Hα-helixtrans-75.3-38177.1-62.1177.3000112.5L303 V309 V337 A338 R339 Y354 V358 I362 V380 A384 M388L303-L341 HydrophobicContact CD1-CD2 3.62Å; L303-L341 HydrophobicContact CD2-CD2 4.26Å; V309-L341 HydrophobicContact CG1-CD1 3.7Å; V309-L341 HydrophobicContact CG1-CD2 3.85Å; V309-L341 HydrophobicContact CG1-CG 4.45Å; V337-L341 HydrophobicContact CG1-CD1 4.21Å; V337-L341 HydrophobicContact CG1-CG 4.36Å; V337-L341 WeakPolarHBondContact O-CG 3.41Å; V337-L341 PolarHBondContact O-N 3.36Å; A338-L341 PolarHBondContact O-N 3.17Å; R339-L341 VanDerWaalsContact C-N 3.33Å; L341-Y354 PolarHBondContact O-OH 3.21Å; L341-Y354 VanDerWaalsContact O-OH 3.06Å; L341-V358 HydrophobicContact CD2-CG1 4.47Å; L341-I362 HydrophobicContact CB-CD1 4.35Å; L341-I362 HydrophobicContact CD1-CD1 4.31Å; L341-I362 HydrophobicContact CD1-CG1 4.36Å; L341-V380 HydrophobicContact CD1-CG1 4.09Å; L341-A384 HydrophobicContact CB-CB 4.24Å; L341-A384 HydrophobicContact CD1-CB 3.99Å; L341-M388 HydrophobicContact CB-CE 4.22Å; L341-M388 WeakPolarHBondContact O-CE 3.18Å
342A87.3Confident82.9Confident1 Ų155.1 Ų55.11%0.00831%0.306CS..Hα-helixtrans-68.5-35.6174.400000112.6A338 C344 M388A338-A342 PolarHBondContact O-N 3.23Å; A342-C344 PolarHBondContact O-N 3.4Å; A342-M388 HydrophobicContact CB-CG 4.03Å
343A86.1Confident83Confident53 Ų5349.6 Ų49.644%0.43829%0.293SS..SBendtrans-7788.8-178.600000112.9R339 P345R339-A343 WeakPolarHBondContact O-CB 3.47Å; R339-A343 PolarHBondContact O-N 2.95Å; R339-A343 VanDerWaalsContact O-N 3.09Å; A343-P345 WeakPolarHBondContact O-CD 3.43Å
344C81.6Confident83.4Confident40 Ų4046.8 Ų46.827%0.2728%0.281SS..  trans-48.1121.6174.2-175.10000112.6A342 S348 Y354 F355A342-C344 PolarHBondContact O-N 3.4Å; C344-S348 PolarHBondContact SG-OG 3.2Å; C344-S348 VanDerWaalsContact SG-OG 3.4Å; C344-Y354 HydrophobicContact CB-CD1 4.01Å; C344-Y354 HydrophobicContact CB-CE1 4.33Å; C344-F355 HydrophobicContact CB-CE2 4.29Å; C344-F355 HydrophobicContact CB-CZ 4.08Å
345P80.9Confident83.6Confident20 Ų2046.8 Ų46.813%0.1328%0.281CS..  trans-64.7139.2-176.8-24.734.3000113.7S300 A343 Q347 S348 Y354S300-P345 WeakPolarHBondContact OG-CB 3.41Å; A343-P345 WeakPolarHBondContact O-CD 3.43Å; P345-Q347 PolarHBondContact O-N 3.02Å; P345-S348 WeakPolarHBondContact O-CB 3.29Å; P345-S348 PolarHBondContact O-N 3Å; P345-S348 PolarHBondContact O-OG 2.84Å; P345-Y354 HydrophobicContact CG-CD2 4.32Å; P345-Y354 HydrophobicContact CG-CE2 3.88Å
346Q72.3Confident83.9Confident186 Ų18653.5 Ų53.587%0.86931%0.305SS*.THydrogen-bonded Turntrans-60.2-11.2173.7-66.4-179.3-1700114.1
347Q69.6Low84.3Confident84 Ų8456 Ų5639%0.39331%0.312SS..THydrogen-bonded Turntrans-100.8-1.3-178.9-57.677.21700112.6Q297 P345Q297-Q347 HydrophobicContact CG-CB 4.13Å; Q297-Q347 HydrophobicContact CG-CG 3.76Å; P345-Q347 PolarHBondContact O-N 3.02Å
348S73.1Confident84.5Confident27 Ų2755.9 Ų55.919%0.18931%0.312CS..SBendtrans-73.2148.1171.164.80000110.9C344 P345C344-S348 PolarHBondContact SG-OG 3.2Å; C344-S348 VanDerWaalsContact SG-OG 3.4Å; P345-S348 WeakPolarHBondContact O-CB 3.29Å; P345-S348 PolarHBondContact O-N 3Å; P345-S348 PolarHBondContact O-OG 2.84Å
349A74.7Confident84.6Confident113 Ų11355.9 Ų55.993%0.93431%0.312SS*.SBendtrans-74.8-29.5178.200000112.6
350S85.8Confident84.8Confident59 Ų5953 Ų5341%0.41331%0.309SS..  trans-155.9152.1170.666.60000110.2D352 G353 Y354S350-D352 VanDerWaalsContact C-N 3.31Å; S350-G353 PolarHBondContact O-N 2.96Å; S350-G353 PolarHBondContact OG-N 3.24Å; S350-G353 VanDerWaalsContact OG-N 3.08Å; S350-Y354 PolarHBondContact O-N 2.63Å
351A84.9Confident85.2Confident35 Ų3549.6 Ų49.629%0.28929%0.291SS..Hα-helixtrans-65.3-36.8173.700000112Y354 F355 F395A351-Y354 WeakPolarHBondContact O-CB 3.48Å; A351-Y354 PolarHBondContact O-N 3.11Å; A351-F355 HydrophobicContact CB-CD2 4.4Å; A351-F355 HydrophobicContact CB-CE2 4.21Å; A351-F355 WeakPolarHBondContact O-CD2 3.42Å; A351-F355 PolarHBondContact O-N 2.84Å; A351-F395 HydrophobicContact CB-CE2 4.24Å; A351-F395 HydrophobicContact CB-CZ 4.2Å
352D87.3Confident85.4Confident64 Ų6449.6 Ų49.634%0.34229%0.291SS..Hα-helixtrans-53.4-55173.1-178.296.6000111.9S350 Y354 F355 R356 F395 Y399S350-D352 VanDerWaalsContact C-N 3.31Å; D352-Y354 VanDerWaalsContact C-N 3.26Å; D352-Y354 PolarHBondContact O-N 2.93Å; D352-F355 PolarHBondContact O-N 3.08Å; D352-R356 WeakPolarHBondContact O-CB 3.35Å; D352-R356 PolarHBondContact O-N 3.15Å; D352-F395 HydrophobicContact CB-CE1 4.21Å; D352-Y399 PolarHBondContact OD1-OH 2.84Å; D352-Y399 VanDerWaalsContact OD1-OH 3.13Å
353G86.3Confident85.6Confident25 Ų2550.8 Ų50.826%0.25830%0.297SS..Hα-helixtrans-65.1-27.9179.400000113.6S350 L357S350-G353 PolarHBondContact O-N 2.96Å; S350-G353 PolarHBondContact OG-N 3.24Å; S350-G353 VanDerWaalsContact OG-N 3.08Å; G353-L357 WeakPolarHBondContact O-CG 3.22Å
354Y90.3Very high85.8Confident1 Ų153.5 Ų53.50%0.00430%0.304CS..Hα-helixtrans-69.6-56.5172.9175.2-99.3000111.7L303 M304 L341 C344 P345 S350 A351 D352 R356 L357 V358L303-Y354 HydrophobicContact CD2-CE2 4.06Å; M304-Y354 HydrophobicContact CG-CD2 4.04Å; M304-Y354 HydrophobicContact CG-CE2 4.43Å; M304-Y354 HydrophobicContact SD-CD2 4.02Å; L341-Y354 PolarHBondContact O-OH 3.21Å; L341-Y354 VanDerWaalsContact O-OH 3.06Å; C344-Y354 HydrophobicContact CB-CD1 4.01Å; C344-Y354 HydrophobicContact CB-CE1 4.33Å; P345-Y354 HydrophobicContact CG-CD2 4.32Å; P345-Y354 HydrophobicContact CG-CE2 3.88Å; S350-Y354 PolarHBondContact O-N 2.63Å; A351-Y354 WeakPolarHBondContact O-CB 3.48Å; A351-Y354 PolarHBondContact O-N 3.11Å; D352-Y354 VanDerWaalsContact C-N 3.26Å; D352-Y354 PolarHBondContact O-N 2.93Å; Y354-R356 VanDerWaalsContact C-N 3.32Å; Y354-R356 PolarHBondContact O-N 3.37Å; Y354-L357 PolarHBondContact O-N 2.66Å; Y354-L357 VanDerWaalsContact O-N 3.11Å; Y354-V358 HydrophobicContact CD2-CG2 4.07Å; Y354-V358 HydrophobicContact CE1-CG2 4.36Å; Y354-V358 HydrophobicContact CE2-CG2 3.69Å; Y354-V358 WeakPolarHBondContact O-CG2 3.34Å; Y354-V358 PolarHBondContact O-N 2.99Å
355F90.3Very high86.2Confident3 Ų351.8 Ų51.81%0.01329%0.293CS..Hα-helixtrans-64.2-37.6-177.9-68.7-59.8000111.8C344 A351 D352 L357 V358 C359 M388 R392 F395 Y399C344-F355 HydrophobicContact CB-CE2 4.29Å; C344-F355 HydrophobicContact CB-CZ 4.08Å; A351-F355 HydrophobicContact CB-CD2 4.4Å; A351-F355 HydrophobicContact CB-CE2 4.21Å; A351-F355 WeakPolarHBondContact O-CD2 3.42Å; A351-F355 PolarHBondContact O-N 2.84Å; D352-F355 PolarHBondContact O-N 3.08Å; F355-L357 PolarHBondContact O-N 3.39Å; F355-L357 VanDerWaalsContact O-N 3.16Å; F355-V358 PolarHBondContact O-N 2.85Å; F355-C359 VanDerWaalsContact O-CB 3.23Å; F355-C359 WeakPolarHBondContact O-CB 3.42Å; F355-C359 PolarHBondContact O-N 3.05Å; F355-C359 PolarHBondContact O-SG 3.03Å; F355-M388 HydrophobicContact CD1-CE 4.05Å; F355-M388 HydrophobicContact CD1-SD 4.2Å; F355-M388 HydrophobicContact CE1-CE 3.96Å; F355-M388 HydrophobicContact CE1-CG 4.37Å; F355-M388 HydrophobicContact CE1-SD 4.26Å; F355-R392 HydrophobicContact CE2-CG 4.33Å; F355-R392 HydrophobicContact CZ-CB 4.43Å; F355-R392 HydrophobicContact CZ-CG 4.03Å; F355-F395 HydrophobicContact CB-CB 4.39Å; F355-F395 HydrophobicContact CD2-CB 3.72Å; F355-F395 HydrophobicContact CD2-CD1 4.15Å; F355-F395 AromaticContact CD2-CD2 3.87Å; F355-F395 HydrophobicContact CD2-CD2 3.87Å; F355-F395 AromaticContact CD2-CG 3.65Å; F355-F395 HydrophobicContact CD2-CG 3.65Å; F355-F395 HydrophobicContact CE2-CB 4.25Å; F355-F395 AromaticContact CE2-CD2 3.88Å; F355-F395 HydrophobicContact CE2-CD2 3.88Å; F355-F395 HydrophobicContact CE2-CE2 4.49Å; F355-F395 HydrophobicContact CE2-CG 4.13Å; F355-F395 HydrophobicContact CG-CB 4.11Å; F355-F395 HydrophobicContact CG-CG 4.46Å; F355-Y399 HydrophobicContact CB-CD2 4.07Å
356R91.1Very high86.6Confident161 Ų16151.3 Ų51.361%0.60829%0.289SS*.Hα-helixtrans-56.8-28.9173.8-176174.8177.8172.80.4114.2D352 Y354 Y399D352-R356 WeakPolarHBondContact O-CB 3.35Å; D352-R356 PolarHBondContact O-N 3.15Å; Y354-R356 VanDerWaalsContact C-N 3.32Å; Y354-R356 PolarHBondContact O-N 3.37Å; R356-Y399 HydrophobicContact CB-CD1 4.26Å; R356-Y399 HydrophobicContact CB-CE1 3.81Å; R356-Y399 HydrophobicContact CG-CD1 4.48Å; R356-Y399 HydrophobicContact CG-CE1 3.9Å
357L90.4Very high87.3Confident87 Ų8745.5 Ų45.546%0.45526%0.262SS..Hα-helixtrans-96.3-26.9179.1-67.9174.9000113.7M304 G353 Y354 F355 Q361M304-L357 HydrophobicContact CB-CD1 4.19Å; G353-L357 WeakPolarHBondContact O-CG 3.22Å; Y354-L357 PolarHBondContact O-N 2.66Å; Y354-L357 VanDerWaalsContact O-N 3.11Å; F355-L357 PolarHBondContact O-N 3.39Å; F355-L357 VanDerWaalsContact O-N 3.16Å; L357-Q361 PolarHBondContact O-NE2 3.01Å
358V91.7Very high88Confident0 Ų043.3 Ų43.30%025%0.251CS..Hα-helixtrans-95.1-37.9-174.4170.50000112.6L303 V309 L341 Y354 F355 Q361 I362 M388L303-V358 HydrophobicContact CG-CG2 4.43Å; V309-V358 HydrophobicContact CG2-CB 4.47Å; V309-V358 HydrophobicContact CG2-CG1 3.95Å; V309-V358 HydrophobicContact CG2-CG2 4.44Å; L341-V358 HydrophobicContact CD2-CG1 4.47Å; Y354-V358 HydrophobicContact CD2-CG2 4.07Å; Y354-V358 HydrophobicContact CE1-CG2 4.36Å; Y354-V358 HydrophobicContact CE2-CG2 3.69Å; Y354-V358 WeakPolarHBondContact O-CG2 3.34Å; Y354-V358 PolarHBondContact O-N 2.99Å; F355-V358 PolarHBondContact O-N 2.85Å; V358-Q361 PolarHBondContact O-N 3.43Å; V358-I362 HydrophobicContact CG1-CD1 3.86Å; V358-I362 HydrophobicContact CG1-CG1 4.4Å; V358-I362 PolarHBondContact O-N 3.18Å; V358-I362 VanDerWaalsContact O-N 3.15Å; V358-M388 HydrophobicContact CG1-CE 4.11Å
359C91.9Very high88.2Confident1 Ų152.3 Ų52.31%0.00728%0.28CS..Hα-helixtrans-63.8-42.1-176.3-65.80000114.1F355 Q361 I362 L363 M388 Y399 L400F355-C359 VanDerWaalsContact O-CB 3.23Å; F355-C359 WeakPolarHBondContact O-CB 3.42Å; F355-C359 PolarHBondContact O-N 3.05Å; F355-C359 PolarHBondContact O-SG 3.03Å; C359-Q361 VanDerWaalsContact C-N 3.31Å; C359-Q361 PolarHBondContact O-N 3.42Å; C359-I362 WeakPolarHBondContact O-CB 3.49Å; C359-I362 PolarHBondContact O-N 2.88Å; C359-L363 PolarHBondContact O-N 3.36Å; C359-M388 VanDerWaalsContact SG-SD 3.7Å; C359-Y399 VanDerWaalsContact CB-O 3.23Å; C359-Y399 WeakPolarHBondContact CB-O 3.07Å; C359-L400 HydrophobicContact CB-CD2 3.62Å; C359-L400 HydrophobicContact CB-CG 3.83Å
360P91.7Very high88.5Confident62 Ų6250.6 Ų50.640%0.40326%0.256SS..Hα-helixtrans-58.9-42.2173.9-24.935.4000112.5I362 L363 D364P360-I362 PolarHBondContact O-N 3.02Å; P360-L363 WeakPolarHBondContact O-CB 3.27Å; P360-L363 PolarHBondContact O-N 3.07Å; P360-D364 PolarHBondContact O-N 3.47Å
361Q93.9Very high87.9Confident19 Ų1957.4 Ų57.49%0.08928%0.278CS..Hα-helixtrans-65.3-22.3177-63.4-174.863.200113.2Q305 S307 V309 L357 V358 C359 L365Q305-Q361 PolarHBondContact O-NE2 2.85Å; Q305-Q361 PolarHBondContact O-OE1 3.16Å; S307-Q361 VanDerWaalsContact N-OE1 3.12Å; V309-Q361 HydrophobicContact CB-CB 3.92Å; V309-Q361 HydrophobicContact CG2-CB 3.59Å; V309-Q361 HydrophobicContact CG2-CG 4.29Å; V309-Q361 VanDerWaalsContact N-OE1 3.09Å; L357-Q361 PolarHBondContact O-NE2 3.01Å; V358-Q361 PolarHBondContact O-N 3.43Å; C359-Q361 VanDerWaalsContact C-N 3.31Å; C359-Q361 PolarHBondContact O-N 3.42Å; Q361-L365 WeakPolarHBondContact O-CG 3.4Å; Q361-L365 PolarHBondContact O-N 2.84Å
362I92.5Very high87.4Confident1 Ų163.6 Ų63.61%0.00531%0.305CS..Hα-helixtrans-75.1-34.8173-71.6169.5000110.8V309 L341 V358 C359 P360 L365 A381 A384 M388 L400V309-I362 HydrophobicContact CG1-CG1 4.31Å; L341-I362 HydrophobicContact CB-CD1 4.35Å; L341-I362 HydrophobicContact CD1-CD1 4.31Å; L341-I362 HydrophobicContact CD1-CG1 4.36Å; V358-I362 HydrophobicContact CG1-CD1 3.86Å; V358-I362 HydrophobicContact CG1-CG1 4.4Å; V358-I362 PolarHBondContact O-N 3.18Å; V358-I362 VanDerWaalsContact O-N 3.15Å; C359-I362 WeakPolarHBondContact O-CB 3.49Å; C359-I362 PolarHBondContact O-N 2.88Å; P360-I362 PolarHBondContact O-N 3.02Å; I362-L365 WeakPolarHBondContact O-CB 3.44Å; I362-L365 PolarHBondContact O-N 3.37Å; I362-A381 HydrophobicContact CG2-CB 4.32Å; I362-A381 WeakPolarHBondContact O-CB 3.44Å; I362-A384 HydrophobicContact CD1-CB 4.08Å; I362-A384 HydrophobicContact CG2-CB 4.45Å; I362-M388 HydrophobicContact CD1-CE 3.38Å; I362-M388 HydrophobicContact CD1-SD 3.88Å; I362-L400 HydrophobicContact CB-CD2 4.35Å; I362-L400 HydrophobicContact CG2-CD2 4.26Å
363L90.9Very high87Confident26 Ų2661.8 Ų61.814%0.13630%0.297CS..Hα-helixtrans-69.5-37.6173.7-57.5177.4000111.5C359 P360 L365 L366 H367 L400 P403 L404C359-L363 PolarHBondContact O-N 3.36Å; P360-L363 WeakPolarHBondContact O-CB 3.27Å; P360-L363 PolarHBondContact O-N 3.07Å; L363-L365 PolarHBondContact O-N 3.06Å; L363-L366 HydrophobicContact CD2-CD1 4.2Å; L363-L366 WeakPolarHBondContact O-CB 3.3Å; L363-L366 PolarHBondContact O-N 3.41Å; L363-L366 VanDerWaalsContact O-N 3.1Å; L363-H367 PolarHBondContact O-ND1 3.27Å; L363-L400 HydrophobicContact CD2-CD2 4.09Å; L363-L400 HydrophobicContact CG-CD2 4.21Å; L363-P403 HydrophobicContact CD1-CB 4.34Å; L363-L404 HydrophobicContact CD2-CB 4.44Å; L363-L404 HydrophobicContact CD2-CD1 3.98Å
364D90.9Very high86.7Confident110 Ų11061.8 Ų61.859%0.58829%0.294SS*.Hα-helixtrans-58-32.9173.1-68.2-37.6000112.6P360 L366 H367P360-D364 PolarHBondContact O-N 3.47Å; D364-L366 VanDerWaalsContact C-N 3.31Å; D364-L366 PolarHBondContact O-N 2.87Å; D364-H367 PolarHBondContact O-N 3.01Å
365L90.4Very high86.4Confident4 Ų469.3 Ų69.32%0.02133%0.33CS..G310 helixtrans-70.5-21.7178.6-71.7177.9000113.8V309 Q310 V313 Q361 I362 L363 H367 F377 A381V309-L365 HydrophobicContact CG1-CD1 3.8Å; Q310-L365 HydrophobicContact CB-CD2 4.18Å; Q310-L365 HydrophobicContact CG-CD2 4.17Å; V313-L365 HydrophobicContact CG2-CD1 3.97Å; Q361-L365 WeakPolarHBondContact O-CG 3.4Å; Q361-L365 PolarHBondContact O-N 2.84Å; I362-L365 WeakPolarHBondContact O-CB 3.44Å; I362-L365 PolarHBondContact O-N 3.37Å; L363-L365 PolarHBondContact O-N 3.06Å; L365-H367 PolarHBondContact O-N 3.4Å; L365-F377 HydrophobicContact CD2-CD1 3.62Å; L365-F377 HydrophobicContact CD2-CE1 4.24Å; L365-F377 HydrophobicContact CD2-CG 4.49Å; L365-A381 HydrophobicContact CB-CB 3.73Å
366L87.9Confident86.2Confident10 Ų1071.3 Ų71.35%0.05234%0.339CS..G310 helixtrans-72.2-12.5174.5-64.4169.8000112.9L363 D364 Q378 A381 D446 K449 I450L363-L366 HydrophobicContact CD2-CD1 4.2Å; L363-L366 WeakPolarHBondContact O-CB 3.3Å; L363-L366 PolarHBondContact O-N 3.41Å; L363-L366 VanDerWaalsContact O-N 3.1Å; D364-L366 VanDerWaalsContact C-N 3.31Å; D364-L366 PolarHBondContact O-N 2.87Å; L366-Q378 HydrophobicContact CD2-CG 4.38Å; L366-A381 HydrophobicContact CD2-CB 3.58Å; L366-A381 HydrophobicContact CG-CB 3.83Å; L366-D446 WeakPolarHBondContact CB-OD1 3.44Å; L366-D446 HydrophobicContact CD1-CB 4.11Å; L366-D446 WeakPolarHBondContact CD1-OD2 3.48Å; L366-K449 HydrophobicContact CB-CD 4.01Å; L366-K449 HydrophobicContact CD2-CB 4.14Å; L366-K449 HydrophobicContact CD2-CD 4.15Å; L366-K449 PolarHBondContact O-NZ 3.47Å; L366-I450 HydrophobicContact CD1-CD1 4.04Å; L366-I450 HydrophobicContact CD1-CG1 4.24Å
367H88.4Confident86Confident64 Ų6463.6 Ų63.630%0.29631%0.31SS..G310 helixtrans-113.117.1-177.2-65.498.2000113L363 D364 L365 R369 R442 D446L363-H367 PolarHBondContact O-ND1 3.27Å; D364-H367 PolarHBondContact O-N 3.01Å; L365-H367 PolarHBondContact O-N 3.4Å; H367-R369 PolarHBondContact O-N 2.9Å; H367-R442 WeakPolarHBondContact NE2-CB 3.45Å; H367-R442 VanDerWaalsContact NE2-CG 3.3Å; H367-R442 WeakPolarHBondContact NE2-CG 3.37Å; H367-D446 VanDerWaalsContact CE1-CG 3.45Å; H367-D446 IonicContact CE1-OD1 3.76Å; H367-D446 PolarHBondContact CE1-OD1 3.21Å; H367-D446 VanDerWaalsContact CE1-OD1 3.3Å; H367-D446 IonicContact CE1-OD2 3.08Å; H367-D446 PolarHBondContact CE1-OD2 3.43Å; H367-D446 IonicContact ND1-OD2 2.99Å; H367-D446 IonicContact NE2-OD1 2.62Å; H367-D446 IonicContact NE2-OD2 3.29Å
368F84.2Confident85.9Confident37 Ų3762.1 Ų62.116%0.16230%0.3CS..  trans-72.4122.7-169.6-165.5-115.7000113.1D370 A374 F377F368-D370 HydrophobicContact CD1-CB 4.32Å; F368-D370 HydrophobicContact CE1-CB 3.64Å; F368-D370 WeakPolarHBondContact CE1-OD2 3.06Å; F368-D370 HydrophobicContact CZ-CB 4.1Å; F368-D370 WeakPolarHBondContact CZ-OD2 3.48Å; F368-A374 VanDerWaalsContact O-CB 3.25Å; F368-A374 WeakPolarHBondContact O-CB 3.49Å; F368-F377 HydrophobicContact CB-CB 4.14Å; F368-F377 HydrophobicContact CB-CD1 4.09Å; F368-F377 HydrophobicContact CB-CG 4.47Å; F368-F377 HydrophobicContact CD1-CB 4.1Å; F368-F377 AromaticContact CD1-CD1 3.21Å; F368-F377 HydrophobicContact CD1-CD1 3.21Å; F368-F377 HydrophobicContact CD1-CD2 4.32Å; F368-F377 AromaticContact CD1-CE1 3.62Å; F368-F377 HydrophobicContact CD1-CE1 3.62Å; F368-F377 AromaticContact CD1-CG 3.64Å; F368-F377 HydrophobicContact CD1-CG 3.64Å; F368-F377 HydrophobicContact CD1-CZ 4.31Å; F368-F377 HydrophobicContact CD2-CD1 4.2Å; F368-F377 HydrophobicContact CD2-CE1 4.46Å; F368-F377 AromaticContact CE1-CD1 3.65Å; F368-F377 HydrophobicContact CE1-CD1 3.65Å; F368-F377 AromaticContact CE1-CE1 3.51Å; F368-F377 HydrophobicContact CE1-CE1 3.51Å; F368-F377 HydrophobicContact CE1-CE2 4.49Å; F368-F377 HydrophobicContact CE1-CG 4.25Å; F368-F377 AromaticContact CE1-CZ 3.96Å; F368-F377 HydrophobicContact CE1-CZ 3.96Å; F368-F377 HydrophobicContact CE2-CE1 4.44Å; F368-F377 HydrophobicContact CG-CB 4.39Å; F368-F377 AromaticContact CG-CD1 3.53Å; F368-F377 HydrophobicContact CG-CD1 3.53Å; F368-F377 HydrophobicContact CG-CE1 4.12Å; F368-F377 HydrophobicContact CG-CG 4.19Å; F368-F377 HydrophobicContact CZ-CD1 4.36Å; F368-F377 AromaticContact CZ-CE1 3.98Å; F368-F377 HydrophobicContact CZ-CE1 3.98Å
369R76.3Confident85.8Confident216 Ų21668.8 Ų68.882%0.81533%0.325SS*.  trans-83.5-16.9-162.4-62-175.8179.9-172.3-1.5116.1H367 K371H367-R369 PolarHBondContact O-N 2.9Å; R369-K371 PolarHBondContact O-N 2.89Å; R369-K371 VanDerWaalsContact O-N 3.08Å
370D80.6Confident85.7Confident78 Ų7868.7 Ų68.742%0.41733%0.325SS..  trans-73.7101.6-175.9-70.9-26.3000110.9R314 F368 L372 T373 A374R314-D370 IonicContact NH2-OD2 2.73Å; R314-D370 PolarHBondContact NH2-OD2 3.03Å; F368-D370 HydrophobicContact CD1-CB 4.32Å; F368-D370 HydrophobicContact CE1-CB 3.64Å; F368-D370 WeakPolarHBondContact CE1-OD2 3.06Å; F368-D370 HydrophobicContact CZ-CB 4.1Å; F368-D370 WeakPolarHBondContact CZ-OD2 3.48Å; D370-L372 PolarHBondContact O-N 3.47Å; D370-T373 WeakPolarHBondContact CB-OG1 3Å; D370-T373 PolarHBondContact O-N 3.4Å; D370-T373 PolarHBondContact O-OG1 3.03Å; D370-A374 WeakPolarHBondContact O-CB 3.26Å; D370-A374 PolarHBondContact O-N 2.93Å
371K73.6Confident85.7Confident201 Ų20165.8 Ų65.887%0.87431%0.306SS*.THydrogen-bonded Turntrans-50.7-27-172.7-64.7-174.6178.6-176.80115.7R369R369-K371 PolarHBondContact O-N 2.89Å; R369-K371 VanDerWaalsContact O-N 3.08Å
372L73.9Confident85.6Confident166 Ų16665.4 Ų65.487%0.86931%0.305SS*.THydrogen-bonded Turntrans-80.8-24.7-179.7-63.1177000114D370D370-L372 PolarHBondContact O-N 3.47Å
373T79.2Confident85.6Confident26 Ų2669.6 Ų69.616%0.1632%0.321CS..THydrogen-bonded Turntrans-120.7-17-174.649.40000113.3D370 Q375 Q376 F377D370-T373 WeakPolarHBondContact CB-OG1 3Å; D370-T373 PolarHBondContact O-N 3.4Å; D370-T373 PolarHBondContact O-OG1 3.03Å; T373-Q375 VanDerWaalsContact C-N 3.3Å; T373-Q375 PolarHBondContact O-N 3.23Å; T373-Q376 WeakPolarHBondContact O-CA 3.4Å; T373-Q376 WeakPolarHBondContact O-CB 3.48Å; T373-Q376 PolarHBondContact O-N 3.49Å; T373-F377 VanDerWaalsContact O-CD2 3.29Å; T373-F377 WeakPolarHBondContact O-CD2 3.44Å; T373-F377 PolarHBondContact O-N 2.68Å; T373-F377 VanDerWaalsContact O-N 3.08Å
374A81.1Confident85.6Confident25 Ų2568.4 Ų68.421%0.20732%0.315CS..Hα-helixtrans-45.8-47.5179.500000113.6F368 D370 Q376 F377 Q378F368-A374 VanDerWaalsContact O-CB 3.25Å; F368-A374 WeakPolarHBondContact O-CB 3.49Å; D370-A374 WeakPolarHBondContact O-CB 3.26Å; D370-A374 PolarHBondContact O-N 2.93Å; A374-Q376 VanDerWaalsContact C-N 3.3Å; A374-Q376 PolarHBondContact O-N 3.13Å; A374-F377 PolarHBondContact O-N 3.06Å; A374-F377 VanDerWaalsContact O-N 3.15Å; A374-Q378 VanDerWaalsContact O-CB 3.32Å; A374-Q378 WeakPolarHBondContact O-CB 3.44Å; A374-Q378 PolarHBondContact O-N 2.84Å
375Q83.9Confident85.7Confident159 Ų15963.3 Ų63.374%0.74329%0.288SS*.Hα-helixtrans-60-37178.1-67.9-175.5-8.100113.3T373 R379T373-Q375 VanDerWaalsContact C-N 3.3Å; T373-Q375 PolarHBondContact O-N 3.23Å; Q375-R379 VanDerWaalsContact O-CB 3.25Å; Q375-R379 WeakPolarHBondContact O-CB 3.38Å; Q375-R379 PolarHBondContact O-N 2.84Å
376Q84.7Confident85.8Confident44 Ų4463.4 Ų63.421%0.20629%0.288CS..Hα-helixtrans-73.5-36.5178.1-54.9-174.6-1400111.1L317 T373 A374 R379 V380L317-Q376 HydrophobicContact CD1-CB 3.82Å; T373-Q376 WeakPolarHBondContact O-CA 3.4Å; T373-Q376 WeakPolarHBondContact O-CB 3.48Å; T373-Q376 PolarHBondContact O-N 3.49Å; A374-Q376 VanDerWaalsContact C-N 3.3Å; A374-Q376 PolarHBondContact O-N 3.13Å; Q376-R379 PolarHBondContact O-N 2.97Å; Q376-V380 WeakPolarHBondContact O-CG2 3.42Å; Q376-V380 PolarHBondContact O-N 2.91Å
377F87.9Confident85.9Confident0 Ų063.1 Ų63.10%029%0.288CS..Hα-helixtrans-70.2-48.6179.7-80-133.8000110.8Q310 V313 R314 L317 L365 F368 T373 A374 R379 V380 A381Q310-F377 HydrophobicContact CG-CE1 4.06Å; V313-F377 HydrophobicContact CG1-CD1 4.06Å; V313-F377 HydrophobicContact CG1-CD2 3.74Å; V313-F377 HydrophobicContact CG1-CE1 3.98Å; V313-F377 HydrophobicContact CG1-CE2 3.67Å; V313-F377 HydrophobicContact CG1-CG 3.93Å; V313-F377 HydrophobicContact CG1-CZ 3.78Å; R314-F377 HydrophobicContact CG-CE1 4.34Å; R314-F377 HydrophobicContact CG-CZ 3.7Å; L317-F377 HydrophobicContact CD1-CD2 4.31Å; L317-F377 HydrophobicContact CD1-CE2 4.3Å; L365-F377 HydrophobicContact CD2-CD1 3.62Å; L365-F377 HydrophobicContact CD2-CE1 4.24Å; L365-F377 HydrophobicContact CD2-CG 4.49Å; F368-F377 HydrophobicContact CB-CB 4.14Å; F368-F377 HydrophobicContact CB-CD1 4.09Å; F368-F377 HydrophobicContact CB-CG 4.47Å; F368-F377 HydrophobicContact CD1-CB 4.1Å; F368-F377 AromaticContact CD1-CD1 3.21Å; F368-F377 HydrophobicContact CD1-CD1 3.21Å; F368-F377 HydrophobicContact CD1-CD2 4.32Å; F368-F377 AromaticContact CD1-CE1 3.62Å; F368-F377 HydrophobicContact CD1-CE1 3.62Å; F368-F377 AromaticContact CD1-CG 3.64Å; F368-F377 HydrophobicContact CD1-CG 3.64Å; F368-F377 HydrophobicContact CD1-CZ 4.31Å; F368-F377 HydrophobicContact CD2-CD1 4.2Å; F368-F377 HydrophobicContact CD2-CE1 4.46Å; F368-F377 AromaticContact CE1-CD1 3.65Å; F368-F377 HydrophobicContact CE1-CD1 3.65Å; F368-F377 AromaticContact CE1-CE1 3.51Å; F368-F377 HydrophobicContact CE1-CE1 3.51Å; F368-F377 HydrophobicContact CE1-CE2 4.49Å; F368-F377 HydrophobicContact CE1-CG 4.25Å; F368-F377 AromaticContact CE1-CZ 3.96Å; F368-F377 HydrophobicContact CE1-CZ 3.96Å; F368-F377 HydrophobicContact CE2-CE1 4.44Å; F368-F377 HydrophobicContact CG-CB 4.39Å; F368-F377 AromaticContact CG-CD1 3.53Å; F368-F377 HydrophobicContact CG-CD1 3.53Å; F368-F377 HydrophobicContact CG-CE1 4.12Å; F368-F377 HydrophobicContact CG-CG 4.19Å; F368-F377 HydrophobicContact CZ-CD1 4.36Å; F368-F377 AromaticContact CZ-CE1 3.98Å; F368-F377 HydrophobicContact CZ-CE1 3.98Å; T373-F377 VanDerWaalsContact O-CD2 3.29Å; T373-F377 WeakPolarHBondContact O-CD2 3.44Å; T373-F377 PolarHBondContact O-N 2.68Å; T373-F377 VanDerWaalsContact O-N 3.08Å; A374-F377 PolarHBondContact O-N 3.06Å; A374-F377 VanDerWaalsContact O-N 3.15Å; F377-R379 VanDerWaalsContact C-N 3.29Å; F377-R379 PolarHBondContact O-N 3.35Å; F377-V380 PolarHBondContact O-N 3.18Å; F377-V380 VanDerWaalsContact O-N 3.15Å; F377-A381 WeakPolarHBondContact O-CB 3.23Å; F377-A381 PolarHBondContact O-N 3.41Å
378Q89.1Confident86.1Confident55 Ų5560.2 Ų60.226%0.25727%0.274SS..Hα-helixtrans-53-46.6169.2-177.7-167.4-8.800110.9L366 A374 V380 A381 T382L366-Q378 HydrophobicContact CD2-CG 4.38Å; A374-Q378 VanDerWaalsContact O-CB 3.32Å; A374-Q378 WeakPolarHBondContact O-CB 3.44Å; A374-Q378 PolarHBondContact O-N 2.84Å; Q378-V380 VanDerWaalsContact C-N 3.35Å; Q378-V380 PolarHBondContact O-N 2.82Å; Q378-A381 PolarHBondContact O-N 2.95Å; Q378-A381 VanDerWaalsContact O-N 3.14Å; Q378-T382 WeakPolarHBondContact O-CB 3.39Å; Q378-T382 PolarHBondContact O-N 3.19Å; Q378-T382 PolarHBondContact O-OG1 3.49Å
379R87.9Confident86.4Confident140 Ų14058.7 Ų58.753%0.52827%0.268SS..Hα-helixtrans-64.1-35.6178.8-170.4172.1-169.4158.55.3113.1C334 Q375 Q376 F377 R383C334-R379 HydrophobicContact CB-CG 4.32Å; Q375-R379 VanDerWaalsContact O-CB 3.25Å; Q375-R379 WeakPolarHBondContact O-CB 3.38Å; Q375-R379 PolarHBondContact O-N 2.84Å; Q376-R379 PolarHBondContact O-N 2.97Å; F377-R379 VanDerWaalsContact C-N 3.29Å; F377-R379 PolarHBondContact O-N 3.35Å; R379-R383 WeakPolarHBondContact O-CB 3.37Å; R379-R383 PolarHBondContact O-N 3.33Å
380V90.8Very high87.1Confident0 Ų053.4 Ų53.40%025%0.252CS..Hα-helixtrans-66.3-47170.3173.60000110.5V313 L317 C334 V337 L341 Q376 F377 Q378 R383 A384V313-V380 HydrophobicContact CG1-CG2 4.45Å; V313-V380 HydrophobicContact CG2-CB 4.49Å; V313-V380 HydrophobicContact CG2-CG1 3.92Å; L317-V380 HydrophobicContact CD1-CG2 4.36Å; C334-V380 HydrophobicContact CB-CG2 3.68Å; V337-V380 HydrophobicContact CB-CG1 4.34Å; V337-V380 HydrophobicContact CG1-CG1 3.84Å; L341-V380 HydrophobicContact CD1-CG1 4.09Å; Q376-V380 WeakPolarHBondContact O-CG2 3.42Å; Q376-V380 PolarHBondContact O-N 2.91Å; F377-V380 PolarHBondContact O-N 3.18Å; F377-V380 VanDerWaalsContact O-N 3.15Å; Q378-V380 VanDerWaalsContact C-N 3.35Å; Q378-V380 PolarHBondContact O-N 2.82Å; V380-R383 PolarHBondContact O-N 3.4Å; V380-A384 WeakPolarHBondContact O-CB 3.5Å; V380-A384 PolarHBondContact O-N 2.86Å
381A92.4Very high87.5Confident0 Ų054.4 Ų54.40%025%0.254CS..Hα-helixtrans-61.9-54-176.100000112.4I362 L365 L366 F377 Q378 R383 A384 A385I362-A381 HydrophobicContact CG2-CB 4.32Å; I362-A381 WeakPolarHBondContact O-CB 3.44Å; L365-A381 HydrophobicContact CB-CB 3.73Å; L366-A381 HydrophobicContact CD2-CB 3.58Å; L366-A381 HydrophobicContact CG-CB 3.83Å; F377-A381 WeakPolarHBondContact O-CB 3.23Å; F377-A381 PolarHBondContact O-N 3.41Å; Q378-A381 PolarHBondContact O-N 2.95Å; Q378-A381 VanDerWaalsContact O-N 3.14Å; A381-R383 VanDerWaalsContact C-N 3.34Å; A381-R383 PolarHBondContact O-N 2.91Å; A381-A384 PolarHBondContact O-N 3.43Å; A381-A385 WeakPolarHBondContact O-CB 3.42Å; A381-A385 PolarHBondContact O-N 3.39Å
382T91.9Very high88.2Confident12 Ų1251.3 Ų51.37%0.07424%0.237CC..Hα-helixtrans-53.7-49.9172.9-650000110.7Q378 A384 A385 L386 K449 G454Q378-T382 WeakPolarHBondContact O-CB 3.39Å; Q378-T382 PolarHBondContact O-N 3.19Å; Q378-T382 PolarHBondContact O-OG1 3.49Å; T382-A384 PolarHBondContact O-N 3.35Å; T382-A385 PolarHBondContact O-N 3.03Å; T382-L386 HydrophobicContact CG2-CD1 3.8Å; T382-L386 HydrophobicContact CG2-CG 4.44Å; T382-L386 WeakPolarHBondContact O-CG 3.42Å; T382-L386 PolarHBondContact O-N 3.11Å; T382-K449 VanDerWaalsContact CG2-O 3.28Å; T382-K449 WeakPolarHBondContact CG2-O 3.43Å; T382-K449 PolarHBondContact OG1-O 3.22Å; T382-G454 VanDerWaalsContact CG2-CA 3.5Å
383R91.3Very high88.9Confident89 Ų8946 Ų4634%0.33621%0.213SC..Hα-helixtrans-66.8-37-177.7-172.657.1169.5164.52.8112.8D335 A338 R379 V380 A381 S387D335-R383 IonicContact OD1-CZ 3.79Å; D335-R383 VanDerWaalsContact OD1-CZ 3.24Å; D335-R383 IonicContact OD1-NE 3.81Å; D335-R383 PolarHBondContact OD1-NE 3.41Å; D335-R383 IonicContact OD1-NH2 2.67Å; D335-R383 PolarHBondContact OD1-NH2 3.04Å; A338-R383 HydrophobicContact CB-CB 3.8Å; A338-R383 HydrophobicContact CB-CG 3.57Å; R379-R383 WeakPolarHBondContact O-CB 3.37Å; R379-R383 PolarHBondContact O-N 3.33Å; V380-R383 PolarHBondContact O-N 3.4Å; A381-R383 VanDerWaalsContact C-N 3.34Å; A381-R383 PolarHBondContact O-N 2.91Å; R383-S387 WeakPolarHBondContact O-CB 3.21Å; R383-S387 PolarHBondContact O-N 3.5Å; R383-S387 PolarHBondContact O-OG 3.35Å
384A91.9Very high89.4Confident0 Ų048.4 Ų48.40%024%0.235CC..Hα-helixtrans-67-44.917700000111.2A338 L341 I362 V380 A381 T382 S387 M388A338-A384 HydrophobicContact CB-CB 4.02Å; L341-A384 HydrophobicContact CB-CB 4.24Å; L341-A384 HydrophobicContact CD1-CB 3.99Å; I362-A384 HydrophobicContact CD1-CB 4.08Å; I362-A384 HydrophobicContact CG2-CB 4.45Å; V380-A384 WeakPolarHBondContact O-CB 3.5Å; V380-A384 PolarHBondContact O-N 2.86Å; A381-A384 PolarHBondContact O-N 3.43Å; T382-A384 PolarHBondContact O-N 3.35Å; A384-S387 PolarHBondContact O-N 2.9Å; A384-M388 WeakPolarHBondContact O-CB 3.33Å; A384-M388 WeakPolarHBondContact O-CG 3.18Å; A384-M388 PolarHBondContact O-N 2.93Å
385A92.4Very high89.8Confident4 Ų449.9 Ų49.93%0.03324%0.237CC..Hα-helixtrans-59-49.917500000111.3A381 T382 S387 M388 V389 L400 I450A381-A385 WeakPolarHBondContact O-CB 3.42Å; A381-A385 PolarHBondContact O-N 3.39Å; T382-A385 PolarHBondContact O-N 3.03Å; A385-S387 PolarHBondContact O-N 2.87Å; A385-M388 WeakPolarHBondContact O-CB 3.43Å; A385-M388 PolarHBondContact O-N 3.06Å; A385-M388 VanDerWaalsContact O-N 3.11Å; A385-V389 WeakPolarHBondContact O-CG2 3.37Å; A385-V389 PolarHBondContact O-N 3.32Å; A385-L400 HydrophobicContact CB-CD1 4.07Å; A385-I450 HydrophobicContact CB-CD1 3.87Å
386L91.6Very high90.1Very high5 Ų542.4 Ų42.43%0.02620%0.202CC..Hα-helixtrans-60.6-42.8178-65.3170.7000112.5T382 M388 V389 Q390 I450 L461T382-L386 HydrophobicContact CG2-CD1 3.8Å; T382-L386 HydrophobicContact CG2-CG 4.44Å; T382-L386 WeakPolarHBondContact O-CG 3.42Å; T382-L386 PolarHBondContact O-N 3.11Å; L386-M388 VanDerWaalsContact C-N 3.35Å; L386-M388 PolarHBondContact O-N 2.83Å; L386-V389 PolarHBondContact O-N 3.19Å; L386-Q390 VanDerWaalsContact O-CG 3.32Å; L386-Q390 WeakPolarHBondContact O-CG 3.31Å; L386-Q390 PolarHBondContact O-N 3.09Å; L386-I450 HydrophobicContact CD2-CG2 4.05Å; L386-L461 HydrophobicContact CD2-CD1 3.51Å
387S90.9Very high90.4Very high5 Ų543.7 Ų43.74%0.03521%0.208CC..Hα-helixtrans-63.6-37.5173.8-71.50000112.5R383 A384 A385 Q390 E391R383-S387 WeakPolarHBondContact O-CB 3.21Å; R383-S387 PolarHBondContact O-N 3.5Å; R383-S387 PolarHBondContact O-OG 3.35Å; A384-S387 PolarHBondContact O-N 2.9Å; A385-S387 PolarHBondContact O-N 2.87Å; S387-Q390 PolarHBondContact O-N 3.43Å; S387-E391 WeakPolarHBondContact O-CB 3.37Å; S387-E391 PolarHBondContact O-N 3.07Å
388M91.7Very high90.6Very high2 Ų248.6 Ų48.61%0.0123%0.231CC..Hα-helixtrans-66.3-39.9174.5-74.9-179.3179.800112.6L341 A342 F355 V358 C359 I362 A384 A385 L386 Q390 R392 A396 L400L341-M388 HydrophobicContact CB-CE 4.22Å; L341-M388 WeakPolarHBondContact O-CE 3.18Å; A342-M388 HydrophobicContact CB-CG 4.03Å; F355-M388 HydrophobicContact CD1-CE 4.05Å; F355-M388 HydrophobicContact CD1-SD 4.2Å; F355-M388 HydrophobicContact CE1-CE 3.96Å; F355-M388 HydrophobicContact CE1-CG 4.37Å; F355-M388 HydrophobicContact CE1-SD 4.26Å; V358-M388 HydrophobicContact CG1-CE 4.11Å; C359-M388 VanDerWaalsContact SG-SD 3.7Å; I362-M388 HydrophobicContact CD1-CE 3.38Å; I362-M388 HydrophobicContact CD1-SD 3.88Å; A384-M388 WeakPolarHBondContact O-CB 3.33Å; A384-M388 WeakPolarHBondContact O-CG 3.18Å; A384-M388 PolarHBondContact O-N 2.93Å; A385-M388 WeakPolarHBondContact O-CB 3.43Å; A385-M388 PolarHBondContact O-N 3.06Å; A385-M388 VanDerWaalsContact O-N 3.11Å; L386-M388 VanDerWaalsContact C-N 3.35Å; L386-M388 PolarHBondContact O-N 2.83Å; M388-Q390 VanDerWaalsContact C-N 3.34Å; M388-R392 CarbonylContact O-C 3.59Å; M388-R392 VanDerWaalsContact O-CA 3.3Å; M388-R392 WeakPolarHBondContact O-CA 3.43Å; M388-R392 PolarHBondContact O-N 2.89Å; M388-A396 HydrophobicContact CB-CB 4.31Å; M388-L400 HydrophobicContact CB-CD1 3.95Å; M388-L400 HydrophobicContact CG-CD1 4.47Å; M388-L400 HydrophobicContact SD-CD1 3.72Å
389V91.4Very high90.7Very high5 Ų547.6 Ų47.63%0.0323%0.225CC..Hα-helixtrans-64.8-40.1174.5-173.50000111A385 L386 P393 A396 L401 T460 L461A385-V389 WeakPolarHBondContact O-CG2 3.37Å; A385-V389 PolarHBondContact O-N 3.32Å; L386-V389 PolarHBondContact O-N 3.19Å; V389-P393 WeakPolarHBondContact O-CA 3.42Å; V389-P393 WeakPolarHBondContact O-CB 3.44Å; V389-P393 WeakPolarHBondContact O-CD 3.44Å; V389-A396 HydrophobicContact CB-CB 4.34Å; V389-A396 HydrophobicContact CG2-CB 3.86Å; V389-L401 HydrophobicContact CG2-CD1 4.11Å; V389-L401 HydrophobicContact CG2-CD2 4.48Å; V389-T460 HydrophobicContact CG1-CG2 3.92Å; V389-L461 HydrophobicContact CG1-CG 4.2Å; V389-L461 HydrophobicContact CG2-CD2 4.1Å; V389-L461 HydrophobicContact CG2-CG 4.48Å
390Q90.4Very high90.9Very high105 Ų10541 Ų4149%0.49120%0.201SC..Hα-helixtrans-70.1-42.8-180-71.51723.900113.2L386 S387 M388 S456L386-Q390 VanDerWaalsContact O-CG 3.32Å; L386-Q390 WeakPolarHBondContact O-CG 3.31Å; L386-Q390 PolarHBondContact O-N 3.09Å; S387-Q390 PolarHBondContact O-N 3.43Å; M388-Q390 VanDerWaalsContact C-N 3.34Å; Q390-S456 PolarHBondContact NE2-OG 2.84Å
391E88.6Confident91Very high99 Ų9941.1 Ų41.146%0.46320%0.201SC..Hα-helixtrans-88.5-29.3-177.1-66.7-175.4-163.100113.8S387S387-E391 WeakPolarHBondContact O-CB 3.37Å; S387-E391 PolarHBondContact O-N 3.07Å
392R88.1Confident90.9Very high136 Ų13643.2 Ų43.251%0.51322%0.218SC..  trans-145.557.3-168.4-62.5-63.1172.2-170.5-1.6112.9F355 M388 A394 F395 A396F355-R392 HydrophobicContact CE2-CG 4.33Å; F355-R392 HydrophobicContact CZ-CB 4.43Å; F355-R392 HydrophobicContact CZ-CG 4.03Å; M388-R392 CarbonylContact O-C 3.59Å; M388-R392 VanDerWaalsContact O-CA 3.3Å; M388-R392 WeakPolarHBondContact O-CA 3.43Å; M388-R392 PolarHBondContact O-N 2.89Å; R392-A394 VanDerWaalsContact C-N 3.32Å; R392-A394 PolarHBondContact O-N 3.1Å; R392-A394 VanDerWaalsContact O-N 3.13Å; R392-F395 HydrophobicContact CB-CD2 4.38Å; R392-F395 PolarHBondContact O-N 2.97Å; R392-F395 VanDerWaalsContact O-N 3.16Å; R392-A396 PolarHBondContact O-N 2.94Å
393P89.1Confident90.9Very high56 Ų5645.7 Ų45.736%0.36424%0.235SC..Hα-helixtrans-55.8-37.9-169.919.6-32.4000114.6V389 A396 Q397 T460V389-P393 WeakPolarHBondContact O-CA 3.42Å; V389-P393 WeakPolarHBondContact O-CB 3.44Å; V389-P393 WeakPolarHBondContact O-CD 3.44Å; P393-A396 PolarHBondContact O-N 2.9Å; P393-Q397 WeakPolarHBondContact O-CB 3.43Å; P393-Q397 PolarHBondContact O-N 3.1Å; P393-T460 HydrophobicContact CB-CG2 4.2Å
394A90.4Very high91Very high75 Ų7542 Ų4262%0.6222%0.221SC*.Hα-helixtrans-63.4-45.8179.600000113.3R392 Q397 Q398R392-A394 VanDerWaalsContact C-N 3.32Å; R392-A394 PolarHBondContact O-N 3.1Å; R392-A394 VanDerWaalsContact O-N 3.13Å; A394-Q397 PolarHBondContact O-N 3.02Å; A394-Q398 PolarHBondContact O-N 3.35Å
395F89.7Confident91Very high56 Ų5642 Ų4225%0.24622%0.222CC..Hα-helixtrans-70.4-35.3176.5-66.9-65.4000111.6A351 D352 F355 R392 Q398 Y399A351-F395 HydrophobicContact CB-CE2 4.24Å; A351-F395 HydrophobicContact CB-CZ 4.2Å; D352-F395 HydrophobicContact CB-CE1 4.21Å; F355-F395 HydrophobicContact CB-CB 4.39Å; F355-F395 HydrophobicContact CD2-CB 3.72Å; F355-F395 HydrophobicContact CD2-CD1 4.15Å; F355-F395 AromaticContact CD2-CD2 3.87Å; F355-F395 HydrophobicContact CD2-CD2 3.87Å; F355-F395 AromaticContact CD2-CG 3.65Å; F355-F395 HydrophobicContact CD2-CG 3.65Å; F355-F395 HydrophobicContact CE2-CB 4.25Å; F355-F395 AromaticContact CE2-CD2 3.88Å; F355-F395 HydrophobicContact CE2-CD2 3.88Å; F355-F395 HydrophobicContact CE2-CE2 4.49Å; F355-F395 HydrophobicContact CE2-CG 4.13Å; F355-F395 HydrophobicContact CG-CB 4.11Å; F355-F395 HydrophobicContact CG-CG 4.46Å; R392-F395 HydrophobicContact CB-CD2 4.38Å; R392-F395 PolarHBondContact O-N 2.97Å; R392-F395 VanDerWaalsContact O-N 3.16Å; F395-Q398 PolarHBondContact O-N 3.31Å; F395-Y399 HydrophobicContact CD1-CD2 4.37Å; F395-Y399 HydrophobicContact CD1-CE2 4.16Å; F395-Y399 WeakPolarHBondContact O-CB 3.49Å; F395-Y399 PolarHBondContact O-N 3.48Å
396A90.4Very high90.9Very high2 Ų243.6 Ų43.62%0.01724%0.235CC..Hα-helixtrans-65.6-40175.100000112M388 V389 R392 P393 Q398 L400 L401M388-A396 HydrophobicContact CB-CB 4.31Å; V389-A396 HydrophobicContact CB-CB 4.34Å; V389-A396 HydrophobicContact CG2-CB 3.86Å; R392-A396 PolarHBondContact O-N 2.94Å; P393-A396 PolarHBondContact O-N 2.9Å; A396-Q398 PolarHBondContact O-N 2.72Å; A396-L400 HydrophobicContact CB-CD1 4.4Å; A396-L400 WeakPolarHBondContact O-CA 3.46Å; A396-L400 WeakPolarHBondContact O-CB 3.04Å; A396-L400 PolarHBondContact O-N 3.42Å; A396-L401 PolarHBondContact O-N 3.44Å
397Q91.1Very high90.9Very high72 Ų7243.9 Ų43.934%0.33624%0.237SC..Iπ-helixtrans-59.3-47.3174.1-16968.615.800111P393 A394 L401 A402P393-Q397 WeakPolarHBondContact O-CB 3.43Å; P393-Q397 PolarHBondContact O-N 3.1Å; A394-Q397 PolarHBondContact O-N 3.02Å; Q397-L401 VanDerWaalsContact OE1-CD1 3.29Å; Q397-A402 VanDerWaalsContact O-CB 3.23Å; Q397-A402 WeakPolarHBondContact O-CB 3.47Å; Q397-A402 PolarHBondContact O-N 3.27Å
398Q91.3Very high90.9Very high102 Ų10243.7 Ų43.748%0.47724%0.235SC..Iπ-helixtrans-73.4-38.8-175.6-172.3-178.9-0.600114.1A394 F395 A396 P403A394-Q398 PolarHBondContact O-N 3.35Å; F395-Q398 PolarHBondContact O-N 3.31Å; A396-Q398 PolarHBondContact O-N 2.72Å; Q398-P403 WeakPolarHBondContact O-CD 3.25Å
399Y90.6Very high90.8Very high34 Ų3446.5 Ų46.513%0.13325%0.248CC..Iπ-helixtrans-114.3-10.5-168.7-64.9-64.2000115.5D352 F355 R356 C359 F395D352-Y399 PolarHBondContact OD1-OH 2.84Å; D352-Y399 VanDerWaalsContact OD1-OH 3.13Å; F355-Y399 HydrophobicContact CB-CD2 4.07Å; R356-Y399 HydrophobicContact CB-CD1 4.26Å; R356-Y399 HydrophobicContact CB-CE1 3.81Å; R356-Y399 HydrophobicContact CG-CD1 4.48Å; R356-Y399 HydrophobicContact CG-CE1 3.9Å; C359-Y399 VanDerWaalsContact CB-O 3.23Å; C359-Y399 WeakPolarHBondContact CB-O 3.07Å; F395-Y399 HydrophobicContact CD1-CD2 4.37Å; F395-Y399 HydrophobicContact CD1-CE2 4.16Å; F395-Y399 WeakPolarHBondContact O-CB 3.49Å; F395-Y399 PolarHBondContact O-N 3.48Å
400L92.1Very high90.5Very high2 Ų250.6 Ų50.61%0.0126%0.263CS..Iπ-helixtrans-115.7-59.8171.1-69.8170.5000111.6C359 I362 L363 A385 M388 A396 P403 L404C359-L400 HydrophobicContact CB-CD2 3.62Å; C359-L400 HydrophobicContact CB-CG 3.83Å; I362-L400 HydrophobicContact CB-CD2 4.35Å; I362-L400 HydrophobicContact CG2-CD2 4.26Å; L363-L400 HydrophobicContact CD2-CD2 4.09Å; L363-L400 HydrophobicContact CG-CD2 4.21Å; A385-L400 HydrophobicContact CB-CD1 4.07Å; M388-L400 HydrophobicContact CB-CD1 3.95Å; M388-L400 HydrophobicContact CG-CD1 4.47Å; M388-L400 HydrophobicContact SD-CD1 3.72Å; A396-L400 HydrophobicContact CB-CD1 4.4Å; A396-L400 WeakPolarHBondContact O-CA 3.46Å; A396-L400 WeakPolarHBondContact O-CB 3.04Å; A396-L400 PolarHBondContact O-N 3.42Å; L400-P403 WeakPolarHBondContact O-CD 3.41Å; L400-L404 WeakPolarHBondContact O-CB 3.43Å; L400-L404 PolarHBondContact O-N 2.81Å
401L92.7Very high90.3Very high3 Ų345.6 Ų45.62%0.01624%0.24CC..Iπ-helixtrans-73.1-48-167.1-57.3174.9000112.1V389 A396 Q397 L404 L405 W451 T460 L461 A464V389-L401 HydrophobicContact CG2-CD1 4.11Å; V389-L401 HydrophobicContact CG2-CD2 4.48Å; A396-L401 PolarHBondContact O-N 3.44Å; Q397-L401 VanDerWaalsContact OE1-CD1 3.29Å; L401-L404 PolarHBondContact O-N 3.21Å; L401-L405 WeakPolarHBondContact O-CB 3.44Å; L401-L405 VanDerWaalsContact O-CG 3.32Å; L401-L405 WeakPolarHBondContact O-CG 3.46Å; L401-L405 PolarHBondContact O-N 3Å; L401-W451 HydrophobicContact CD2-CH2 3.65Å; L401-W451 HydrophobicContact CD2-CZ2 4Å; L401-T460 HydrophobicContact CD1-CG2 4.29Å; L401-L461 HydrophobicContact CD1-CD2 4.4Å; L401-L461 HydrophobicContact CD2-CD2 3.93Å; L401-A464 HydrophobicContact CD1-CB 4.23Å
402A91.2Very high90.2Very high43 Ų4342.5 Ų42.536%0.35523%0.226SC..Hα-helixtrans-62.6-42.8177.900000113.4Q397 A406Q397-A402 VanDerWaalsContact O-CB 3.23Å; Q397-A402 WeakPolarHBondContact O-CB 3.47Å; Q397-A402 PolarHBondContact O-N 3.27Å; A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 3.43Å
403P91.9Very high89.6Confident64 Ų6440.4 Ų40.442%0.41623%0.229SC..Hα-helixtrans-62.8-40.6171.7-26.436.2000114.1L363 Q398 L400 A406L363-P403 HydrophobicContact CD1-CB 4.34Å; Q398-P403 WeakPolarHBondContact O-CD 3.25Å; L400-P403 WeakPolarHBondContact O-CD 3.41Å; P403-A406 WeakPolarHBondContact O-CB 3.3Å
404L92.6Very high88.4Confident11 Ų1140.3 Ų40.36%0.05823%0.233CC..Hα-helixtrans-65.5-43.9179.4-173.7164.5000111.4L363 L400 L401 P407 C443 D446 V447 I450 W451L363-L404 HydrophobicContact CD2-CB 4.44Å; L363-L404 HydrophobicContact CD2-CD1 3.98Å; L400-L404 WeakPolarHBondContact O-CB 3.43Å; L400-L404 PolarHBondContact O-N 2.81Å; L401-L404 PolarHBondContact O-N 3.21Å; L404-P407 VanDerWaalsContact O-CD 3.26Å; L404-P407 WeakPolarHBondContact O-CD 3.34Å; L404-C443 PolarHBondContact O-SG 2.97Å; L404-D446 HydrophobicContact CD1-CB 4.04Å; L404-D446 HydrophobicContact CD2-CB 4.35Å; L404-D446 HydrophobicContact CG-CB 4.07Å; L404-V447 HydrophobicContact CD2-CG2 3.52Å; L404-I450 HydrophobicContact CD1-CD1 3.56Å; L404-W451 HydrophobicContact CD1-CZ3 4.13Å; L404-W451 HydrophobicContact CD2-CH2 4.27Å; L404-W451 HydrophobicContact CD2-CZ3 4Å
405L93.1Very high86.4Confident1 Ų140.7 Ų40.71%0.00523%0.231CC..Hα-helixtrans-84.5-7.5-178.3-60.6176.9000113.7L401 P407 L408 H409 V447 W451 A464 V468L401-L405 WeakPolarHBondContact O-CB 3.44Å; L401-L405 VanDerWaalsContact O-CG 3.32Å; L401-L405 WeakPolarHBondContact O-CG 3.46Å; L401-L405 PolarHBondContact O-N 3Å; L405-P407 VanDerWaalsContact C-N 3.32Å; L405-L408 HydrophobicContact CD2-CD1 4.34Å; L405-L408 PolarHBondContact O-N 2.92Å; L405-H409 PolarHBondContact O-CD2 3.4Å; L405-H409 VanDerWaalsContact O-CD2 3.32Å; L405-H409 PolarHBondContact O-N 2.92Å; L405-V447 HydrophobicContact CD2-CG2 3.65Å; L405-W451 HydrophobicContact CD2-CH2 4.22Å; L405-A464 HydrophobicContact CD1-CB 4.17Å; L405-A464 VanDerWaalsContact CD1-O 3.26Å; L405-A464 WeakPolarHBondContact CD1-O 3.45Å; L405-V468 HydrophobicContact CD2-CG2 4.1Å
406A91Very high84Confident37 Ų3745.6 Ų45.631%0.30626%0.26SS..Hα-helixtrans-54.4-33.1-179.700000115.5A402 P403 R410A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 3.43Å; P403-A406 WeakPolarHBondContact O-CB 3.3Å; A406-R410 WeakPolarHBondContact O-CB 3.26Å; A406-R410 WeakPolarHBondContact O-CG 3.33Å; A406-R410 PolarHBondContact O-N 3.01Å; A406-R410 VanDerWaalsContact O-N 3.11Å; A406-R410 PolarHBondContact O-NE 3.35Å
407P90.3Very high81.3Confident12 Ų1255.6 Ų55.68%0.07830%0.297CS..Hα-helixtrans-65.1-36.3171.6-22.436000113.3L404 L405 C411 V435 C443L404-P407 VanDerWaalsContact O-CD 3.26Å; L404-P407 WeakPolarHBondContact O-CD 3.34Å; L405-P407 VanDerWaalsContact C-N 3.32Å; P407-C411 PolarHBondContact O-SG 3.06Å; P407-V435 HydrophobicContact CB-CG1 4.15Å; P407-C443 HydrophobicContact CB-CB 3.8Å; P407-C443 HydrophobicContact CG-CB 3.81Å
408L90.8Very high78.8Confident0 Ų057.9 Ų57.90%032%0.318CS..Hα-helixtrans-77.2-40.5176.6-69.5166.5000112L405 R410 C411 L440 V468 V471 I472L405-L408 HydrophobicContact CD2-CD1 4.34Å; L405-L408 PolarHBondContact O-N 2.92Å; L408-R410 PolarHBondContact O-N 2.87Å; L408-C411 VanDerWaalsContact O-CB 3.27Å; L408-C411 WeakPolarHBondContact O-CB 3.32Å; L408-C411 PolarHBondContact O-N 3.25Å; L408-L440 HydrophobicContact CD2-CD1 3.76Å; L408-L440 HydrophobicContact CG-CD1 4.44Å; L408-V468 HydrophobicContact CB-CB 4.09Å; L408-V468 HydrophobicContact CB-CG1 3.94Å; L408-V468 HydrophobicContact CD1-CB 4.19Å; L408-V468 HydrophobicContact CD1-CG2 4.04Å; L408-V471 HydrophobicContact CB-CG1 4.48Å; L408-V471 HydrophobicContact CD2-CB 4.27Å; L408-V471 HydrophobicContact CD2-CG1 3.61Å; L408-I472 HydrophobicContact CD1-CD1 3.95Å; L408-I472 HydrophobicContact CD1-CG1 3.94Å; L408-I472 HydrophobicContact CD2-CG1 4.2Å
409H89.8Confident76Confident61 Ų6159.6 Ų59.628%0.28233%0.33SS..Hα-helixtrans-62.8-31.1174.8-68.6-60.9000112.6L405 C411 I412 T413 V468L405-H409 PolarHBondContact O-CD2 3.4Å; L405-H409 VanDerWaalsContact O-CD2 3.32Å; L405-H409 PolarHBondContact O-N 2.92Å; H409-C411 PolarHBondContact O-N 3.32Å; H409-I412 WeakPolarHBondContact O-CB 3.49Å; H409-I412 PolarHBondContact O-N 3.14Å; H409-T413 PolarHBondContact O-N 2.83Å; H409-V468 VanDerWaalsContact CE1-CG1 3.44Å; H409-V468 WeakPolarHBondContact CE1-CG1 3.43Å
410R86.4Confident73.5Confident92 Ų9264.4 Ų64.435%0.34736%0.363SS..Hα-helixtrans-59.5-25.3171.1-87.9-177.1-78.4167.1-8.6113.5A406 L408 V435 D439 F527A406-R410 WeakPolarHBondContact O-CB 3.26Å; A406-R410 WeakPolarHBondContact O-CG 3.33Å; A406-R410 PolarHBondContact O-N 3.01Å; A406-R410 VanDerWaalsContact O-N 3.11Å; A406-R410 PolarHBondContact O-NE 3.35Å; L408-R410 PolarHBondContact O-N 2.87Å; R410-V435 HydrophobicContact CB-CG2 3.72Å; R410-D439 IonicContact CZ-OD2 3.17Å; R410-D439 VanDerWaalsContact CZ-OD2 3.31Å; R410-D439 IonicContact NH1-OD2 3.24Å; R410-D439 PolarHBondContact NH1-OD2 2.9Å; R410-D439 IonicContact NH2-OD2 2.69Å; R410-D439 PolarHBondContact NH2-OD2 3.1Å; R410-F527 WeakPolarHBondContact O-CE2 3.32Å
411C85.8Confident70.7Confident0 Ų072.3 Ų72.30%040%0.4CS..Hα-helixtrans-76.3-23.7174.9-51.50000113P407 L408 H409 V471 V523 A524P407-C411 PolarHBondContact O-SG 3.06Å; L408-C411 VanDerWaalsContact O-CB 3.27Å; L408-C411 WeakPolarHBondContact O-CB 3.32Å; L408-C411 PolarHBondContact O-N 3.25Å; H409-C411 PolarHBondContact O-N 3.32Å; C411-V471 HydrophobicContact CB-CG1 3.67Å; C411-V471 HydrophobicContact CB-CG2 4.32Å; C411-V523 HydrophobicContact CB-CG2 4.32Å; C411-V523 WeakPolarHBondContact O-CA 3.46Å; C411-A524 PolarHBondContact O-N 2.91Å
412I85.5Confident68.1Low33 Ų3381.2 Ų81.217%0.16944%0.444CS..Hα-helixtrans-84-46.6-176.4-56.5171.1000110.6H409 V468 V471 N521H409-I412 WeakPolarHBondContact O-CB 3.49Å; H409-I412 PolarHBondContact O-N 3.14Å; I412-V468 HydrophobicContact CD1-CG1 4.48Å; I412-V471 HydrophobicContact CD1-CG2 4.05Å; I412-V471 HydrophobicContact CG1-CG2 3.52Å; I412-N521 HydrophobicContact CD1-CB 3.95Å; I412-N521 HydrophobicContact CG2-CB 4.39Å
413T76.4Confident65.3Low92 Ų9285.4 Ų85.456%0.56447%0.465SS*.SBendtrans-93.7104.7-177.457.20000110.6H409 S415H409-T413 PolarHBondContact O-N 2.83Å; T413-S415 PolarHBondContact O-N 2.69Å
414A62.6Low62.6Low55 Ų5588.2 Ų88.246%0.45548%0.481SS..  trans-57.5111160.500000108.5D416 A524 F527A414-D416 PolarHBondContact O-N 2.8Å; A414-D416 VanDerWaalsContact O-N 3.14Å; A414-A524 HydrophobicContact CB-CB 4.02Å; A414-F527 HydrophobicContact CB-CE2 4.47Å
415S49.4Very low59.7Low83 Ų8396.6 Ų96.658%0.5852%0.517SS*.  trans-80.796.2-172.9-177.40000110.3T413 R417T413-S415 PolarHBondContact O-N 2.69Å; S415-R417 PolarHBondContact O-N 2.79Å
416D38.8Very low57.2Low159 Ų159103.8 Ų103.885%0.8556%0.561SS**  trans-59.397.9165.2-86.9-25.7000109.6A414 P418A414-D416 PolarHBondContact O-N 2.8Å; A414-D416 VanDerWaalsContact O-N 3.14Å; D416-P418 VanDerWaalsContact O-CD 3.22Å; D416-P418 WeakPolarHBondContact O-CD 3.31Å
417R34.7Very low54.4Low211 Ų211107.4 Ų107.480%0.79658%0.579SS**  trans-109.380.2165.3-82.2-171.3169.3-165.7-0.9110S415 D419S415-R417 PolarHBondContact O-N 2.79Å; R417-D419 PolarHBondContact O-N 2.92Å
418P38.3Very low51.8Low120 Ų120114.9 Ų114.978%0.77961%0.613SS**  trans-75.748.317435.2-38.1000111.7D416D416-P418 VanDerWaalsContact O-CD 3.22Å; D416-P418 WeakPolarHBondContact O-CD 3.31Å
419D32.8Very low49.3Very low138 Ų138124.1 Ų124.174%0.73866%0.656SS**  trans-145.947.5-168.9-112.5-31.5000113.3R417R417-D419 PolarHBondContact O-N 2.92Å
420V37.3Very low47Very low136 Ų136128.8 Ų128.882%0.82468%0.678SS**  trans-126.5108.3154.8-177.30000108.2
421Q32.8Very low45.6Very low167 Ų167130.1 Ų130.178%0.7869%0.691SS**  trans-65.2156.6178.9-66.3175.9-5.500111.6V423Q421-V423 PolarHBondContact O-N 2.98Å
422M37.8Very low44.8Very low190 Ų190135.7 Ų135.794%0.93672%0.717SS**  trans-49.4105.5-179.8-77.3-174.3146.300113.3
423V33Very low44.3Very low131 Ų131137.3 Ų137.379%0.79473%0.728SS**  trans-113.495.5159.8-1790000108Q421 K425Q421-V423 PolarHBondContact O-N 2.98Å; V423-K425 PolarHBondContact O-N 3.2Å; V423-K425 VanDerWaalsContact O-N 3.15Å
424T35.9Very low44.5Very low124 Ų124134.1 Ų134.176%0.76171%0.711SS**  trans-66.4108.1175.550.40000110.9
425K32.3Very low45.6Very low187 Ų187131.6 Ų131.681%0.81369%0.69SS**  trans-160.4118.2150.8-111.6163.2-172.5-179.70111.1V423 T427V423-K425 PolarHBondContact O-N 3.2Å; V423-K425 VanDerWaalsContact O-N 3.15Å; K425-T427 PolarHBondContact O-N 3.49Å
426V39.8Very low47.4Very low152 Ų152133.5 Ų133.592%0.92169%0.69SS**  trans-84104172.6175.90000108.3
427T33.1Very low49.9Very low113 Ų113127.7 Ų127.769%0.69366%0.658SS**  trans-154.2125.5165.9390000110K425K425-T427 PolarHBondContact O-N 3.49Å
428E35.2Very low52.5Low168 Ų168122 Ų12279%0.78564%0.643SS**  trans74.5150.2163.9-62.1-178.2-164.400119.5H430E428-H430 PolarHBondContact O-N 3.01Å
429E38.2Very low55Low194 Ų194118.8 Ų118.891%0.90762%0.619SS**  trans-94.990.6-165.3-61.3169.9155.500109.6
430H40.5Very low57.8Low159 Ų159112.2 Ų112.274%0.73658%0.584SS**  trans-120.5101.5-179.8-68.93.8000110.7E428 H432E428-H430 PolarHBondContact O-N 3.01Å; H430-H432 PolarHBondContact O-N 3.37Å
431L56.7Low60.4Low121 Ų121106.6 Ų106.663%0.63455%0.55SS*.  trans-58.5126.8164.6-82.4117.1000109.1V433 T540L431-V433 PolarHBondContact O-N 2.93Å; L431-V433 VanDerWaalsContact O-N 3.12Å; L431-T540 HydrophobicContact CB-CG2 4.11Å; L431-T540 HydrophobicContact CD2-CG2 4.33Å
432H69.1Low63.2Low116 Ų116103.2 Ų103.254%0.53753%0.53SS..  trans-73.4108.1179.1-169.6-63.8000109.9H430 A434 Q541H430-H432 PolarHBondContact O-N 3.37Å; H432-A434 PolarHBondContact O-N 3.45Å; H432-Q541 PolarHBondContact O-N 3.4Å
433V76.7Confident65.9Low67 Ų6794.4 Ų94.441%0.40649%0.487SS..EExtended strand (participates in β ladder)trans-70.6120.8173.1-179.40000108.9L431 V435 E436 V539 T540L431-V433 PolarHBondContact O-N 2.93Å; L431-V433 VanDerWaalsContact O-N 3.12Å; V433-V435 VanDerWaalsContact CG1-O 3.29Å; V433-V435 WeakPolarHBondContact CG1-O 3.4Å; V433-E436 HydrophobicContact CG1-CG 4.32Å; V433-V539 CarbonylContact C-O 3.57Å; V433-V539 WeakPolarHBondContact CA-O 3.17Å; V433-T540 HydrophobicContact CG2-CG2 4.21Å
434A79.6Confident68.8Low26 Ų2688.2 Ų88.222%0.21545%0.449CS..EExtended strand (participates in β ladder)trans-88.9-33.2177.900000112.2H432 F527 V539H432-A434 PolarHBondContact O-N 3.45Å; A434-F527 HydrophobicContact CB-CD1 3.9Å; A434-F527 HydrophobicContact CB-CE1 3.49Å; A434-F527 VanDerWaalsContact CB-CE1 3.49Å; A434-F527 HydrophobicContact CB-CZ 3.96Å; A434-V539 HydrophobicContact CB-CG1 4.22Å; A434-V539 PolarHBondContact N-O 3.13Å
435V84.8Confident71.5Confident1 Ų185.9 Ų85.91%0.00643%0.43CS..EExtended strand (participates in β ladder)trans-139.3124.4172.9-170.90000108.8P407 R410 V433 D439 L440 V539P407-V435 HydrophobicContact CB-CG1 4.15Å; R410-V435 HydrophobicContact CB-CG2 3.72Å; V433-V435 VanDerWaalsContact CG1-O 3.29Å; V433-V435 WeakPolarHBondContact CG1-O 3.4Å; V435-D439 HydrophobicContact CG1-CB 3.92Å; V435-L440 HydrophobicContact CG1-CB 4.11Å; V435-V539 HydrophobicContact CB-CB 3.98Å; V435-V539 HydrophobicContact CB-CG2 3.95Å; V435-V539 HydrophobicContact CG2-CB 4.23Å; V435-V539 HydrophobicContact CG2-CG2 4.22Å; V435-V539 PolarHBondContact N-O 3.44Å; V435-V539 PolarHBondContact O-N 3.3Å
436E87.8Confident74.4Confident123 Ų12377.4 Ų77.458%0.57539%0.393SS*.  trans-70.4152.8178.5-66.5-174-178.300112.1V433 L438 D439 L440V433-E436 HydrophobicContact CG1-CG 4.32Å; E436-L438 VanDerWaalsContact C-N 3.25Å; E436-L438 PolarHBondContact O-N 3.03Å; E436-D439 HydrophobicContact CB-CB 4.43Å; E436-D439 WeakPolarHBondContact O-CB 3.11Å; E436-D439 PolarHBondContact O-N 2.73Å; E436-D439 VanDerWaalsContact O-N 3.11Å; E436-L440 PolarHBondContact O-N 3.31Å; E436-L440 VanDerWaalsContact O-N 3.07Å
437E91Very high77Confident38 Ų3870.1 Ų70.118%0.17835%0.349CS..Hα-helixtrans-52.8-42.9176.8174.5174.7-165.200112.6T441 G532 G533 D534 G535 G536 V537E437-T441 WeakPolarHBondContact O-CB 3.49Å; E437-T441 PolarHBondContact O-N 2.93Å; E437-T441 PolarHBondContact O-OG1 3.23Å; E437-G532 VanDerWaalsContact OE1-CA 3.29Å; E437-G532 WeakPolarHBondContact OE1-CA 3.46Å; E437-G532 WeakPolarHBondContact OE2-CA 3.46Å; E437-G533 PolarHBondContact OE1-N 2.97Å; E437-G533 PolarHBondContact OE2-N 3.23Å; E437-D534 WeakPolarHBondContact OE1-CA 3.44Å; E437-D534 PolarHBondContact OE1-N 2.82Å; E437-G535 PolarHBondContact OE1-N 2.77Å; E437-G536 WeakPolarHBondContact OE1-CA 3.23Å; E437-G536 PolarHBondContact OE1-N 2.92Å; E437-V537 WeakPolarHBondContact CA-O 3.23Å
438L89.6Confident79.9Confident91 Ų9168.7 Ų68.748%0.47633%0.332SS..Hα-helixtrans-67.6-36.9-179.6-172.762.5000112.5E436 R442E436-L438 VanDerWaalsContact C-N 3.25Å; E436-L438 PolarHBondContact O-N 3.03Å; L438-R442 WeakPolarHBondContact O-CB 3.32Å; L438-R442 WeakPolarHBondContact O-CG 3.44Å; L438-R442 PolarHBondContact O-N 3.5Å
439D90.7Very high82.6Confident52 Ų5261.4 Ų61.428%0.27830%0.297SS..Hα-helixtrans-68.3-48.6178.3-103.615.8000111R410 V435 E436 C443R410-D439 IonicContact CZ-OD2 3.17Å; R410-D439 VanDerWaalsContact CZ-OD2 3.31Å; R410-D439 IonicContact NH1-OD2 3.24Å; R410-D439 PolarHBondContact NH1-OD2 2.9Å; R410-D439 IonicContact NH2-OD2 2.69Å; R410-D439 PolarHBondContact NH2-OD2 3.1Å; V435-D439 HydrophobicContact CG1-CB 3.92Å; E436-D439 HydrophobicContact CB-CB 4.43Å; E436-D439 WeakPolarHBondContact O-CB 3.11Å; E436-D439 PolarHBondContact O-N 2.73Å; E436-D439 VanDerWaalsContact O-N 3.11Å; D439-C443 WeakPolarHBondContact O-CB 3.27Å; D439-C443 PolarHBondContact O-N 2.73Å; D439-C443 VanDerWaalsContact O-N 3.08Å
440L91.6Very high85.1Confident0 Ų052.3 Ų52.30%026%0.255CS..Hα-helixtrans-69.5-40.6-179.1-173.260.2000111.7L408 V435 E436 C443 V444 L475 F529 V537 V539L408-L440 HydrophobicContact CD2-CD1 3.76Å; L408-L440 HydrophobicContact CG-CD1 4.44Å; V435-L440 HydrophobicContact CG1-CB 4.11Å; E436-L440 PolarHBondContact O-N 3.31Å; E436-L440 VanDerWaalsContact O-N 3.07Å; L440-C443 WeakPolarHBondContact O-CB 3.32Å; L440-C443 PolarHBondContact O-N 2.67Å; L440-V444 HydrophobicContact CD1-CG2 4.38Å; L440-V444 WeakPolarHBondContact O-CG2 3.48Å; L440-V444 PolarHBondContact O-N 2.7Å; L440-L475 HydrophobicContact CD1-CD2 4.37Å; L440-L475 HydrophobicContact CD2-CD1 4.23Å; L440-L475 HydrophobicContact CD2-CD2 4.16Å; L440-L475 HydrophobicContact CG-CD2 4.31Å; L440-F529 HydrophobicContact CD2-CD1 4.25Å; L440-F529 HydrophobicContact CD2-CE1 3.77Å; L440-V537 HydrophobicContact CD2-CB 4.24Å; L440-V537 HydrophobicContact CD2-CG1 4.31Å; L440-V537 WeakPolarHBondContact CD2-O 3.23Å; L440-V539 HydrophobicContact CD2-CG2 4.3Å
441T92.1Very high87.6Confident18 Ų1844.8 Ų44.811%0.1122%0.22CC..Hα-helixtrans-58.5-49.9176.9-64.40000111.5E437 C443 V444 E445 H485 L486E437-T441 WeakPolarHBondContact O-CB 3.49Å; E437-T441 PolarHBondContact O-N 2.93Å; E437-T441 PolarHBondContact O-OG1 3.23Å; T441-C443 PolarHBondContact O-N 3.18Å; T441-V444 PolarHBondContact O-N 3.18Å; T441-E445 WeakPolarHBondContact O-CB 3.36Å; T441-E445 PolarHBondContact O-N 3.46Å; T441-H485 WeakPolarHBondContact CG2-NE2 3.43Å; T441-L486 HydrophobicContact CG2-CD2 4.14Å
442R91.9Very high89.2Confident96 Ų9640.1 Ų40.136%0.36220%0.197SC..Hα-helixtrans-62.2-40.7176.8-72.4178.4-177169.93.2112.7H367 L438 E445 D446H367-R442 WeakPolarHBondContact NE2-CB 3.45Å; H367-R442 VanDerWaalsContact NE2-CG 3.3Å; H367-R442 WeakPolarHBondContact NE2-CG 3.37Å; L438-R442 WeakPolarHBondContact O-CB 3.32Å; L438-R442 WeakPolarHBondContact O-CG 3.44Å; L438-R442 PolarHBondContact O-N 3.5Å; R442-E445 PolarHBondContact O-N 2.71Å; R442-D446 WeakPolarHBondContact O-CB 3.33Å; R442-D446 PolarHBondContact O-N 3.37Å
443C94.1Very high90.1Very high5 Ų538.2 Ų38.23%0.03419%0.193CC..Hα-helixtrans-58.4-52.8177.5-172.20000111.7L404 P407 D439 L440 T441 E445 D446 V447L404-C443 PolarHBondContact O-SG 2.97Å; P407-C443 HydrophobicContact CB-CB 3.8Å; P407-C443 HydrophobicContact CG-CB 3.81Å; D439-C443 WeakPolarHBondContact O-CB 3.27Å; D439-C443 PolarHBondContact O-N 2.73Å; D439-C443 VanDerWaalsContact O-N 3.08Å; L440-C443 WeakPolarHBondContact O-CB 3.32Å; L440-C443 PolarHBondContact O-N 2.67Å; T441-C443 PolarHBondContact O-N 3.18Å; C443-E445 PolarHBondContact O-N 2.98Å; C443-D446 PolarHBondContact O-N 2.96Å; C443-V447 WeakPolarHBondContact O-CG2 3.44Å; C443-V447 PolarHBondContact O-N 3.49Å
444V93.9Very high90.5Very high1 Ų136 Ų361%0.00618%0.184CC..Hα-helixtrans-64.8-40.9-179.5172.80000111.2L440 T441 Y448 L475 L486 P489 I493L440-V444 HydrophobicContact CD1-CG2 4.38Å; L440-V444 WeakPolarHBondContact O-CG2 3.48Å; L440-V444 PolarHBondContact O-N 2.7Å; T441-V444 PolarHBondContact O-N 3.18Å; V444-Y448 WeakPolarHBondContact O-CB 3.47Å; V444-Y448 PolarHBondContact O-N 2.85Å; V444-L475 HydrophobicContact CG2-CD2 3.72Å; V444-L486 HydrophobicContact CB-CD2 4.24Å; V444-L486 HydrophobicContact CG1-CD2 4.17Å; V444-P489 HydrophobicContact CG1-CB 3.67Å; V444-I493 HydrophobicContact CG1-CD1 4.31Å
445E92.5Very high90.9Very high76 Ų7639.5 Ų39.536%0.35520%0.199SC..Hα-helixtrans-56.7-47.5171.3-93.7-161.5-16300112.5T441 R442 C443 Y448 K449T441-E445 WeakPolarHBondContact O-CB 3.36Å; T441-E445 PolarHBondContact O-N 3.46Å; R442-E445 PolarHBondContact O-N 2.71Å; C443-E445 PolarHBondContact O-N 2.98Å; E445-Y448 WeakPolarHBondContact O-CB 3.37Å; E445-Y448 PolarHBondContact O-N 3.44Å; E445-K449 WeakPolarHBondContact O-CG 3.19Å; E445-K449 PolarHBondContact O-N 2.85Å; E445-K449 WeakPolarHBondContact OE2-CE 3.21Å; E445-K449 IonicContact OE2-NZ 3.19Å; E445-K449 PolarHBondContact OE2-NZ 3.07Å
446D92.9Very high90.8Very high8 Ų840.6 Ų40.64%0.04321%0.207CC..Hα-helixtrans-72.5-34.2-176.3-81.98.6000112.6L366 H367 L404 R442 C443 Y448 K449 I450L366-D446 WeakPolarHBondContact CB-OD1 3.44Å; L366-D446 HydrophobicContact CD1-CB 4.11Å; L366-D446 WeakPolarHBondContact CD1-OD2 3.48Å; H367-D446 VanDerWaalsContact CE1-CG 3.45Å; H367-D446 IonicContact CE1-OD1 3.76Å; H367-D446 PolarHBondContact CE1-OD1 3.21Å; H367-D446 VanDerWaalsContact CE1-OD1 3.3Å; H367-D446 IonicContact CE1-OD2 3.08Å; H367-D446 PolarHBondContact CE1-OD2 3.43Å; H367-D446 IonicContact ND1-OD2 2.99Å; H367-D446 IonicContact NE2-OD1 2.62Å; H367-D446 IonicContact NE2-OD2 3.29Å; L404-D446 HydrophobicContact CD1-CB 4.04Å; L404-D446 HydrophobicContact CD2-CB 4.35Å; L404-D446 HydrophobicContact CG-CB 4.07Å; R442-D446 WeakPolarHBondContact O-CB 3.33Å; R442-D446 PolarHBondContact O-N 3.37Å; C443-D446 PolarHBondContact O-N 2.96Å; D446-Y448 VanDerWaalsContact C-N 3.33Å; D446-K449 PolarHBondContact O-N 3.19Å; D446-K449 WeakPolarHBondContact OD1-CD 3.48Å; D446-K449 IonicContact OD1-NZ 2.79Å; D446-K449 PolarHBondContact OD1-NZ 3.49Å; D446-I450 PolarHBondContact O-N 2.97Å
447V94.4Very high90.7Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-60.1-45.3168.3178.20000110.1L404 L405 C443 K449 I450 W451 L465 I493L404-V447 HydrophobicContact CD2-CG2 3.52Å; L405-V447 HydrophobicContact CD2-CG2 3.65Å; C443-V447 WeakPolarHBondContact O-CG2 3.44Å; C443-V447 PolarHBondContact O-N 3.49Å; V447-K449 PolarHBondContact O-N 3.42Å; V447-I450 PolarHBondContact O-N 3.48Å; V447-W451 HydrophobicContact CB-CE3 4.16Å; V447-W451 HydrophobicContact CB-CZ3 4.28Å; V447-W451 HydrophobicContact CG1-CD2 4.11Å; V447-W451 HydrophobicContact CG1-CE3 3.84Å; V447-W451 HydrophobicContact CG1-CZ3 4.26Å; V447-W451 HydrophobicContact CG2-CE3 4.46Å; V447-W451 HydrophobicContact CG2-CZ3 4.09Å; V447-W451 WeakPolarHBondContact O-CB 3.48Å; V447-W451 VanDerWaalsContact O-CE3 3.32Å; V447-W451 PolarHBondContact O-N 3.34Å; V447-L465 HydrophobicContact CG1-CD1 3.86Å; V447-I493 HydrophobicContact CB-CD1 3.9Å; V447-I493 HydrophobicContact CG1-CD1 3.65Å; V447-I493 HydrophobicContact CG1-CG1 3.97Å; V447-I493 HydrophobicContact CG1-CG2 3.87Å
448Y93.9Very high90.5Very high82 Ų8236.7 Ų36.732%0.32220%0.196SC..Iπ-helixtrans-62.3-43.4175.1177-95.6000112.6V444 E445 D446 I450 V452 V453 P489 E492V444-Y448 WeakPolarHBondContact O-CB 3.47Å; V444-Y448 PolarHBondContact O-N 2.85Å; E445-Y448 WeakPolarHBondContact O-CB 3.37Å; E445-Y448 PolarHBondContact O-N 3.44Å; D446-Y448 VanDerWaalsContact C-N 3.33Å; Y448-I450 PolarHBondContact O-N 2.9Å; Y448-V452 HydrophobicContact CD2-CB 3.78Å; Y448-V452 HydrophobicContact CD2-CG1 4.16Å; Y448-V452 HydrophobicContact CD2-CG2 3.77Å; Y448-V452 HydrophobicContact CE2-CB 3.92Å; Y448-V452 HydrophobicContact CE2-CG1 3.8Å; Y448-V452 HydrophobicContact CE2-CG2 4.26Å; Y448-V452 HydrophobicContact CG-CB 4.45Å; Y448-V452 WeakPolarHBondContact O-CB 3.2Å; Y448-V452 PolarHBondContact O-N 2.96Å; Y448-V453 HydrophobicContact CD1-CG2 3.91Å; Y448-V453 HydrophobicContact CE1-CG2 3.47Å; Y448-V453 VanDerWaalsContact CE1-CG2 3.47Å; Y448-V453 PolarHBondContact O-N 3.01Å; Y448-P489 HydrophobicContact CG-CB 4.46Å; Y448-E492 HydrophobicContact CD2-CB 4.05Å; Y448-E492 HydrophobicContact CE2-CB 3.74Å; Y448-E492 HydrophobicContact CE2-CG 4.11Å
449K92.1Very high90.4Very high15 Ų1537.4 Ų37.47%0.06521%0.206CC..Iπ-helixtrans-66.5-30.5179.4-68.3164.8-156.3159.60113.8L366 T382 E445 D446 V447L366-K449 HydrophobicContact CB-CD 4.01Å; L366-K449 HydrophobicContact CD2-CB 4.14Å; L366-K449 HydrophobicContact CD2-CD 4.15Å; L366-K449 PolarHBondContact O-NZ 3.47Å; T382-K449 VanDerWaalsContact CG2-O 3.28Å; T382-K449 WeakPolarHBondContact CG2-O 3.43Å; T382-K449 PolarHBondContact OG1-O 3.22Å; E445-K449 WeakPolarHBondContact O-CG 3.19Å; E445-K449 PolarHBondContact O-N 2.85Å; E445-K449 WeakPolarHBondContact OE2-CE 3.21Å; E445-K449 IonicContact OE2-NZ 3.19Å; E445-K449 PolarHBondContact OE2-NZ 3.07Å; D446-K449 PolarHBondContact O-N 3.19Å; D446-K449 WeakPolarHBondContact OD1-CD 3.48Å; D446-K449 IonicContact OD1-NZ 2.79Å; D446-K449 PolarHBondContact OD1-NZ 3.49Å; V447-K449 PolarHBondContact O-N 3.42Å
450I91.7Very high90.3Very high3 Ų336.7 Ų36.72%0.01520%0.204CC..Iπ-helixtrans-93.3-50-179.1-68.8-177.3000112.1L366 A385 L386 L404 D446 V447 Y448 G454 L461L366-I450 HydrophobicContact CD1-CD1 4.04Å; L366-I450 HydrophobicContact CD1-CG1 4.24Å; A385-I450 HydrophobicContact CB-CD1 3.87Å; L386-I450 HydrophobicContact CD2-CG2 4.05Å; L404-I450 HydrophobicContact CD1-CD1 3.56Å; D446-I450 PolarHBondContact O-N 2.97Å; V447-I450 PolarHBondContact O-N 3.48Å; Y448-I450 PolarHBondContact O-N 2.9Å; I450-G454 WeakPolarHBondContact O-CA 3.3Å; I450-G454 PolarHBondContact O-N 3.32Å; I450-L461 HydrophobicContact CG2-CD2 4.47Å
451W92.9Very high90.2Very high1 Ų136.8 Ų36.80%0.00420%0.204CC..Iπ-helixtrans-79.1-61.4-175.9-74.3-110000110.7L401 L404 L405 V447 N455 L461 L465 W496L401-W451 HydrophobicContact CD2-CH2 3.65Å; L401-W451 HydrophobicContact CD2-CZ2 4Å; L404-W451 HydrophobicContact CD1-CZ3 4.13Å; L404-W451 HydrophobicContact CD2-CH2 4.27Å; L404-W451 HydrophobicContact CD2-CZ3 4Å; L405-W451 HydrophobicContact CD2-CH2 4.22Å; V447-W451 HydrophobicContact CB-CE3 4.16Å; V447-W451 HydrophobicContact CB-CZ3 4.28Å; V447-W451 HydrophobicContact CG1-CD2 4.11Å; V447-W451 HydrophobicContact CG1-CE3 3.84Å; V447-W451 HydrophobicContact CG1-CZ3 4.26Å; V447-W451 HydrophobicContact CG2-CE3 4.46Å; V447-W451 HydrophobicContact CG2-CZ3 4.09Å; V447-W451 WeakPolarHBondContact O-CB 3.48Å; V447-W451 VanDerWaalsContact O-CE3 3.32Å; V447-W451 PolarHBondContact O-N 3.34Å; W451-N455 WeakPolarHBondContact O-CA 3.46Å; W451-N455 PolarHBondContact O-N 3.41Å; W451-L461 HydrophobicContact CD2-CD2 4.36Å; W451-L461 HydrophobicContact CH2-CD2 4.48Å; W451-L461 HydrophobicContact CZ2-CD2 3.84Å; W451-L461 PolarHBondContact NE1-O 2.91Å; W451-L465 HydrophobicContact CG-CD2 4.23Å; W451-W496 HydrophobicContact CB-CD2 4.3Å; W451-W496 HydrophobicContact CB-CE3 4.16Å; W451-W496 HydrophobicContact CB-CH2 4.33Å; W451-W496 HydrophobicContact CB-CZ2 4.42Å; W451-W496 HydrophobicContact CB-CZ3 4.21Å; W451-W496 AromaticContact CD1-CH2 3.73Å; W451-W496 AromaticContact CD1-CZ3 3.51Å; W451-W496 HydrophobicContact CG-CH2 4.42Å; W451-W496 HydrophobicContact CG-CZ3 4.28Å; W451-W496 PolarHBondContact O-NE1 3.3Å
452V90.4Very high90.1Very high23 Ų2337.6 Ų37.614%0.13921%0.207CC..Iπ-helixtrans-70.7-54.1-173.5-170.60000112.1Y448 G454 E492 I493 W496Y448-V452 HydrophobicContact CD2-CB 3.78Å; Y448-V452 HydrophobicContact CD2-CG1 4.16Å; Y448-V452 HydrophobicContact CD2-CG2 3.77Å; Y448-V452 HydrophobicContact CE2-CB 3.92Å; Y448-V452 HydrophobicContact CE2-CG1 3.8Å; Y448-V452 HydrophobicContact CE2-CG2 4.26Å; Y448-V452 HydrophobicContact CG-CB 4.45Å; Y448-V452 WeakPolarHBondContact O-CB 3.2Å; Y448-V452 PolarHBondContact O-N 2.96Å; V452-G454 VanDerWaalsContact C-N 3.34Å; V452-E492 HydrophobicContact CG1-CB 4.24Å; V452-E492 HydrophobicContact CG2-CB 4.36Å; V452-I493 HydrophobicContact CG2-CB 4.47Å; V452-I493 HydrophobicContact CG2-CG1 3.89Å; V452-W496 HydrophobicContact CG2-CB 3.95Å; V452-W496 HydrophobicContact CG2-CG 4.18Å
453V87.9Confident90Very high76 Ų7635.4 Ų35.446%0.46121%0.21SC..THydrogen-bonded Turntrans-73.6-28.1-177.7179.40000112Y448Y448-V453 HydrophobicContact CD1-CG2 3.91Å; Y448-V453 HydrophobicContact CE1-CG2 3.47Å; Y448-V453 VanDerWaalsContact CE1-CG2 3.47Å; Y448-V453 PolarHBondContact O-N 3.01Å
454G84Confident89.9Confident22 Ų2235.3 Ų35.323%0.22721%0.209CC..THydrogen-bonded Turntrans-79.3-32.7177.200000114.2T382 I450 V452 S456T382-G454 VanDerWaalsContact CG2-CA 3.5Å; I450-G454 WeakPolarHBondContact O-CA 3.3Å; I450-G454 PolarHBondContact O-N 3.32Å; V452-G454 VanDerWaalsContact C-N 3.34Å; G454-S456 VanDerWaalsContact C-N 3.33Å; G454-S456 PolarHBondContact O-N 3.28Å; G454-S456 VanDerWaalsContact O-N 3.16Å
455N87.8Confident89.8Confident99 Ų9935.2 Ų35.253%0.52921%0.209SC..  trans41.847.1172.8-157.923.2000116.2W451 W496W451-N455 WeakPolarHBondContact O-CA 3.46Å; W451-N455 PolarHBondContact O-N 3.41Å; N455-W496 PolarHBondContact OD1-NE1 2.82Å
456S84.4Confident89.7Confident24 Ų2435 Ų3517%0.16821%0.208CC..  trans-124.992.1167.372.80000110Q390 G454Q390-S456 PolarHBondContact NE2-OG 2.84Å; G454-S456 VanDerWaalsContact C-N 3.33Å; G454-S456 PolarHBondContact O-N 3.28Å; G454-S456 VanDerWaalsContact O-N 3.16Å
457P83.8Confident89.5Confident63 Ų6338.3 Ų38.341%0.40923%0.226SC..  trans-61.5144.3-179.825.7-34000111W496 L500P457-W496 HydrophobicContact CB-CH2 4.27Å; P457-W496 HydrophobicContact CB-CZ2 4.33Å; P457-L500 HydrophobicContact CB-CB 4.5Å; P457-L500 HydrophobicContact CB-CD1 4.33Å; P457-L500 HydrophobicContact CG-CD1 4.21Å
458S87.6Confident89.4Confident16 Ų1638.3 Ų38.311%0.11223%0.226CC..  trans-149.2151.817266.60000108.4T460 L461 L462S458-T460 PolarHBondContact O-N 3.36Å; S458-L461 PolarHBondContact O-N 3.33Å; S458-L461 WeakPolarHBondContact OG-CD1 3.32Å; S458-L461 WeakPolarHBondContact OG-CG 3.49Å; S458-L461 PolarHBondContact OG-N 2.99Å; S458-L462 PolarHBondContact O-N 3.46Å
459P88Confident89.3Confident106 Ų10634.4 Ų34.469%0.68821%0.21SC*.Hα-helixtrans-59.2-34.8-175.622-33.4000112.4L462 A463P459-L462 PolarHBondContact O-N 3.3Å; P459-A463 VanDerWaalsContact O-CB 3.32Å; P459-A463 WeakPolarHBondContact O-CB 3.19Å; P459-A463 PolarHBondContact O-N 2.95Å
460T88.3Confident89.4Confident37 Ų3733.8 Ų33.823%0.22721%0.208CC..Hα-helixtrans-65.6-41.1175.8-41.90000112.5V389 P393 L401 S458 A464V389-T460 HydrophobicContact CG1-CG2 3.92Å; P393-T460 HydrophobicContact CB-CG2 4.2Å; L401-T460 HydrophobicContact CD1-CG2 4.29Å; S458-T460 PolarHBondContact O-N 3.36Å; T460-A464 VanDerWaalsContact O-CB 3.23Å; T460-A464 WeakPolarHBondContact O-CB 3.37Å; T460-A464 PolarHBondContact O-N 3.36Å
461L90.3Very high89.4Confident2 Ų233.6 Ų33.61%0.0121%0.207CC..Hα-helixtrans-70-36.7176.3-73.7172.7000112.5L386 V389 L401 I450 W451 S458 L465L386-L461 HydrophobicContact CD2-CD1 3.51Å; V389-L461 HydrophobicContact CG1-CG 4.2Å; V389-L461 HydrophobicContact CG2-CD2 4.1Å; V389-L461 HydrophobicContact CG2-CG 4.48Å; L401-L461 HydrophobicContact CD1-CD2 4.4Å; L401-L461 HydrophobicContact CD2-CD2 3.93Å; I450-L461 HydrophobicContact CG2-CD2 4.47Å; W451-L461 HydrophobicContact CD2-CD2 4.36Å; W451-L461 HydrophobicContact CH2-CD2 4.48Å; W451-L461 HydrophobicContact CZ2-CD2 3.84Å; W451-L461 PolarHBondContact NE1-O 2.91Å; S458-L461 PolarHBondContact O-N 3.33Å; S458-L461 WeakPolarHBondContact OG-CD1 3.32Å; S458-L461 WeakPolarHBondContact OG-CG 3.49Å; S458-L461 PolarHBondContact OG-N 2.99Å; L461-L465 VanDerWaalsContact O-CB 3.26Å; L461-L465 WeakPolarHBondContact O-CB 3.32Å; L461-L465 PolarHBondContact O-N 3.16Å; L461-L465 VanDerWaalsContact O-N 3.12Å
462L90.2Very high89.5Confident34 Ų3433.6 Ų33.618%0.17821%0.207CC..Hα-helixtrans-68.6-48.4177.3-69.9171.2000110.7S458 P459 L465 Q466 W496 F497S458-L462 PolarHBondContact O-N 3.46Å; P459-L462 PolarHBondContact O-N 3.3Å; L462-L465 PolarHBondContact O-N 3.21Å; L462-Q466 VanDerWaalsContact O-CB 3.3Å; L462-Q466 WeakPolarHBondContact O-CB 3.25Å; L462-Q466 PolarHBondContact O-N 3.48Å; L462-W496 HydrophobicContact CD2-CH2 4.16Å; L462-W496 HydrophobicContact CD2-CZ3 3.81Å; L462-F497 HydrophobicContact CB-CE2 4.3Å; L462-F497 HydrophobicContact CD2-CD2 3.76Å; L462-F497 HydrophobicContact CD2-CE2 3.93Å
463A89.9Confident89.6Confident50 Ų5032.5 Ų32.541%0.41320%0.2SC..Hα-helixtrans-61.1-48.8177.100000112.4P459 L465 Q466 D467P459-A463 VanDerWaalsContact O-CB 3.32Å; P459-A463 WeakPolarHBondContact O-CB 3.19Å; P459-A463 PolarHBondContact O-N 2.95Å; A463-L465 VanDerWaalsContact C-N 3.27Å; A463-L465 PolarHBondContact O-N 3.4Å; A463-Q466 WeakPolarHBondContact O-CB 3.45Å; A463-Q466 PolarHBondContact O-N 2.91Å; A463-D467 PolarHBondContact O-N 3.29Å
464A90.8Very high89.8Confident3 Ų329.9 Ų29.93%0.02519%0.185CC..Hα-helixtrans-63.9-30.9179.700000113.1L401 L405 T460L401-A464 HydrophobicContact CD1-CB 4.23Å; L405-A464 HydrophobicContact CD1-CB 4.17Å; L405-A464 VanDerWaalsContact CD1-O 3.26Å; L405-A464 WeakPolarHBondContact CD1-O 3.45Å; T460-A464 VanDerWaalsContact O-CB 3.23Å; T460-A464 WeakPolarHBondContact O-CB 3.37Å; T460-A464 PolarHBondContact O-N 3.36Å
465L91.9Very high90.2Very high0 Ų028.9 Ų28.90%017%0.174CC..Hα-helixtrans-75.8-42.4173.1-17859000111.5V447 W451 L461 L462 A463 D467 V468 L469 I472 I493 W496 F497V447-L465 HydrophobicContact CG1-CD1 3.86Å; W451-L465 HydrophobicContact CG-CD2 4.23Å; L461-L465 VanDerWaalsContact O-CB 3.26Å; L461-L465 WeakPolarHBondContact O-CB 3.32Å; L461-L465 PolarHBondContact O-N 3.16Å; L461-L465 VanDerWaalsContact O-N 3.12Å; L462-L465 PolarHBondContact O-N 3.21Å; A463-L465 VanDerWaalsContact C-N 3.27Å; A463-L465 PolarHBondContact O-N 3.4Å; L465-D467 PolarHBondContact O-N 3.04Å; L465-V468 HydrophobicContact CD1-CG2 4.06Å; L465-V468 VanDerWaalsContact O-CG2 3.23Å; L465-V468 WeakPolarHBondContact O-CG2 3.14Å; L465-V468 PolarHBondContact O-N 3.04Å; L465-L469 HydrophobicContact CD1-CD2 3.96Å; L465-L469 HydrophobicContact CD1-CG 4.32Å; L465-L469 HydrophobicContact CD2-CD2 4.25Å; L465-L469 HydrophobicContact CG-CD1 4.28Å; L465-L469 HydrophobicContact CG-CD2 3.83Å; L465-L469 HydrophobicContact CG-CG 3.94Å; L465-L469 WeakPolarHBondContact O-CG 3.46Å; L465-L469 PolarHBondContact O-N 2.94Å; L465-I472 HydrophobicContact CD1-CD1 3.83Å; L465-I493 HydrophobicContact CD1-CG2 3.88Å; L465-I493 HydrophobicContact CD2-CG2 4.02Å; L465-W496 HydrophobicContact CD2-CE3 4.18Å; L465-W496 HydrophobicContact CD2-CZ3 4.17Å; L465-F497 HydrophobicContact CD2-CB 4.24Å; L465-F497 HydrophobicContact CD2-CD2 4.13Å; L465-F497 HydrophobicContact CG-CD2 4.48Å
466Q90.3Very high90.5Very high71 Ų7124.1 Ų24.133%0.33215%0.149SC..Hα-helixtrans-53.4-38.1-179.8-175.5176.61.100112.3L462 A463 V468 F497L462-Q466 VanDerWaalsContact O-CB 3.3Å; L462-Q466 WeakPolarHBondContact O-CB 3.25Å; L462-Q466 PolarHBondContact O-N 3.48Å; A463-Q466 WeakPolarHBondContact O-CB 3.45Å; A463-Q466 PolarHBondContact O-N 2.91Å; Q466-V468 PolarHBondContact O-N 3.25Å; Q466-F497 HydrophobicContact CB-CE2 4.13Å; Q466-F497 HydrophobicContact CB-CZ 4.11Å; Q466-F497 HydrophobicContact CG-CZ 4.26Å
467D89Confident90.8Very high77 Ų7723.3 Ų23.341%0.41214%0.143SC..THydrogen-bonded Turntrans-62.4-19.2176.6-79-34.9000114.6A463 L465 N521A463-D467 PolarHBondContact O-N 3.29Å; L465-D467 PolarHBondContact O-N 3.04Å; D467-N521 VanDerWaalsContact O-CB 3.27Å; D467-N521 WeakPolarHBondContact O-CB 3.43Å; D467-N521 PolarHBondContact O-ND2 3.43Å; D467-N521 PolarHBondContact OD1-ND2 3.41Å
468V92.6Very high91.2Very high0 Ų022.3 Ų22.30%013%0.132CC..THydrogen-bonded Turntrans-119.8-4.5-179.1-61.30000114.5L405 L408 H409 I412 L465 Q466 P470 V471 I472L405-V468 HydrophobicContact CD2-CG2 4.1Å; L408-V468 HydrophobicContact CB-CB 4.09Å; L408-V468 HydrophobicContact CB-CG1 3.94Å; L408-V468 HydrophobicContact CD1-CB 4.19Å; L408-V468 HydrophobicContact CD1-CG2 4.04Å; H409-V468 VanDerWaalsContact CE1-CG1 3.44Å; H409-V468 WeakPolarHBondContact CE1-CG1 3.43Å; I412-V468 HydrophobicContact CD1-CG1 4.48Å; L465-V468 HydrophobicContact CD1-CG2 4.06Å; L465-V468 VanDerWaalsContact O-CG2 3.23Å; L465-V468 WeakPolarHBondContact O-CG2 3.14Å; L465-V468 PolarHBondContact O-N 3.04Å; Q466-V468 PolarHBondContact O-N 3.25Å; V468-P470 VanDerWaalsContact C-CD 3.44Å; V468-V471 WeakPolarHBondContact O-CB 3.29Å; V468-V471 PolarHBondContact O-N 2.89Å; V468-I472 HydrophobicContact CG2-CD1 3.99Å; V468-I472 PolarHBondContact O-N 2.95Å; V468-I472 VanDerWaalsContact O-N 3.09Å
469L92.4Very high91.4Very high0 Ų021.5 Ų21.50%013%0.127CC..Hα-helixtrans-57.1-35.6-179.6-77.6173.7000114.8L465 V471 I472 F473 I493 L494 F497 L509L465-L469 HydrophobicContact CD1-CD2 3.96Å; L465-L469 HydrophobicContact CD1-CG 4.32Å; L465-L469 HydrophobicContact CD2-CD2 4.25Å; L465-L469 HydrophobicContact CG-CD1 4.28Å; L465-L469 HydrophobicContact CG-CD2 3.83Å; L465-L469 HydrophobicContact CG-CG 3.94Å; L465-L469 WeakPolarHBondContact O-CG 3.46Å; L465-L469 PolarHBondContact O-N 2.94Å; L469-V471 VanDerWaalsContact C-N 3.31Å; L469-V471 PolarHBondContact O-N 3.27Å; L469-I472 HydrophobicContact CD2-CD1 4.4Å; L469-I472 PolarHBondContact O-N 3Å; L469-F473 WeakPolarHBondContact O-CB 3.28Å; L469-F473 PolarHBondContact O-N 2.96Å; L469-I493 HydrophobicContact CD2-CG2 4.3Å; L469-L494 HydrophobicContact CD2-CD2 4.05Å; L469-F497 HydrophobicContact CD1-CB 3.95Å; L469-F497 HydrophobicContact CD1-CD1 3.42Å; L469-F497 VanDerWaalsContact CD1-CD1 3.42Å; L469-F497 HydrophobicContact CD1-CD2 3.6Å; L469-F497 HydrophobicContact CD1-CE1 3.7Å; L469-F497 HydrophobicContact CD1-CE2 3.85Å; L469-F497 HydrophobicContact CD1-CG 3.36Å; L469-F497 HydrophobicContact CD1-CZ 3.9Å; L469-L509 HydrophobicContact CB-CD1 4.28Å; L469-L509 HydrophobicContact CB-CD2 4.32Å; L469-L509 HydrophobicContact CD1-CD2 3.53Å
470P92.4Very high91.4Very high2 Ų219 Ų191%0.01311%0.105CC..Hα-helixtrans-61.9-36.8174.1-23.835.1000113V468 F473 T474 L513 D522V468-P470 VanDerWaalsContact C-CD 3.44Å; P470-F473 PolarHBondContact O-N 2.8Å; P470-T474 PolarHBondContact O-N 3.09Å; P470-T474 PolarHBondContact O-OG1 2.9Å; P470-L513 HydrophobicContact CB-CD2 4.35Å; P470-L513 HydrophobicContact CG-CD2 4.46Å; P470-D522 HydrophobicContact CB-CB 4.09Å
471V92.6Very high91.3Very high0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-68-37.7173.5-174.50000111.7L408 C411 I412 V468 L469 F473 T474 L475 V523 F529L408-V471 HydrophobicContact CB-CG1 4.48Å; L408-V471 HydrophobicContact CD2-CB 4.27Å; L408-V471 HydrophobicContact CD2-CG1 3.61Å; C411-V471 HydrophobicContact CB-CG1 3.67Å; C411-V471 HydrophobicContact CB-CG2 4.32Å; I412-V471 HydrophobicContact CD1-CG2 4.05Å; I412-V471 HydrophobicContact CG1-CG2 3.52Å; V468-V471 WeakPolarHBondContact O-CB 3.29Å; V468-V471 PolarHBondContact O-N 2.89Å; L469-V471 VanDerWaalsContact C-N 3.31Å; L469-V471 PolarHBondContact O-N 3.27Å; V471-F473 VanDerWaalsContact C-N 3.32Å; V471-T474 VanDerWaalsContact CA-OG1 3.3Å; V471-T474 WeakPolarHBondContact CA-OG1 3.44Å; V471-T474 PolarHBondContact O-OG1 3.32Å; V471-L475 WeakPolarHBondContact O-CB 3.19Å; V471-L475 PolarHBondContact O-N 2.94Å; V471-V523 HydrophobicContact CB-CG2 4.5Å; V471-V523 HydrophobicContact CG1-CG2 4.1Å; V471-V523 HydrophobicContact CG2-CG2 4.36Å; V471-F529 HydrophobicContact CG1-CZ 4.2Å
472I94.2Very high90.9Very high1 Ų124.3 Ų24.31%0.00513%0.129CC..Hα-helixtrans-70.2-32175.5-62.1173.7000110.7L408 L465 V468 L469 F476 C490 I493 L494L408-I472 HydrophobicContact CD1-CD1 3.95Å; L408-I472 HydrophobicContact CD1-CG1 3.94Å; L408-I472 HydrophobicContact CD2-CG1 4.2Å; L465-I472 HydrophobicContact CD1-CD1 3.83Å; V468-I472 HydrophobicContact CG2-CD1 3.99Å; V468-I472 PolarHBondContact O-N 2.95Å; V468-I472 VanDerWaalsContact O-N 3.09Å; L469-I472 HydrophobicContact CD2-CD1 4.4Å; L469-I472 PolarHBondContact O-N 3Å; I472-F476 WeakPolarHBondContact O-CB 3.43Å; I472-F476 PolarHBondContact O-N 3.33Å; I472-C490 HydrophobicContact CG2-CB 4.06Å; I472-I493 HydrophobicContact CD1-CG2 4.06Å; I472-I493 HydrophobicContact CG2-CG2 4.44Å; I472-L494 HydrophobicContact CG2-CD1 4.37Å; I472-L494 HydrophobicContact CG2-CG 4.16Å
473F94.2Very high90.4Very high0 Ų028.5 Ų28.50%016%0.156CC..Hα-helixtrans-74-46176.2179.6-110.2000113.1L469 P470 V471 L475 F476 C477 L494 L513 R564 L568 L571L469-F473 WeakPolarHBondContact O-CB 3.28Å; L469-F473 PolarHBondContact O-N 2.96Å; P470-F473 PolarHBondContact O-N 2.8Å; V471-F473 VanDerWaalsContact C-N 3.32Å; F473-L475 VanDerWaalsContact C-N 3.28Å; F473-L475 PolarHBondContact O-N 3.19Å; F473-F476 HydrophobicContact CD2-CD1 4.43Å; F473-F476 WeakPolarHBondContact O-CB 3.25Å; F473-F476 PolarHBondContact O-N 3.26Å; F473-F476 VanDerWaalsContact O-N 3.14Å; F473-C477 PolarHBondContact O-N 3.04Å; F473-C477 PolarHBondContact O-SG 3.13Å; F473-L494 HydrophobicContact CB-CD2 4.14Å; F473-L494 HydrophobicContact CD2-CD1 4.35Å; F473-L513 HydrophobicContact CB-CD1 4.24Å; F473-L513 HydrophobicContact CB-CD2 3.83Å; F473-L513 HydrophobicContact CD1-CB 4.06Å; F473-L513 HydrophobicContact CD1-CD1 4.38Å; F473-L513 HydrophobicContact CD1-CD2 3.75Å; F473-L513 HydrophobicContact CD1-CG 4.26Å; F473-L513 HydrophobicContact CD2-CD1 4.11Å; F473-L513 HydrophobicContact CE1-CB 4.01Å; F473-L513 HydrophobicContact CG-CB 4.48Å; F473-L513 HydrophobicContact CG-CD1 3.98Å; F473-L513 HydrophobicContact CG-CD2 3.88Å; F473-L513 HydrophobicContact CG-CG 4.32Å; F473-L513 HydrophobicContact CZ-CB 4.41Å; F473-R564 HydrophobicContact CE1-CB 4.24Å; F473-R564 HydrophobicContact CE1-CG 4.45Å; F473-R564 HydrophobicContact CZ-CB 4.48Å; F473-R564 WeakPolarHBondContact CZ-O 3.36Å; F473-L568 HydrophobicContact CE2-CB 4.17Å; F473-L568 HydrophobicContact CE2-CD1 4.01Å; F473-L568 HydrophobicContact CZ-CB 3.89Å; F473-L568 HydrophobicContact CZ-CD1 4.17Å; F473-L571 HydrophobicContact CD2-CD1 4.04Å; F473-L571 HydrophobicContact CE2-CD1 3.96Å
474T91.2Very high90.3Very high21 Ų2126.7 Ų26.713%0.12914%0.14CC..Hα-helixtrans-56.6-44.417034.80000111.4P470 V471 F476 C477 F478 D522 V523P470-T474 PolarHBondContact O-N 3.09Å; P470-T474 PolarHBondContact O-OG1 2.9Å; V471-T474 VanDerWaalsContact CA-OG1 3.3Å; V471-T474 WeakPolarHBondContact CA-OG1 3.44Å; V471-T474 PolarHBondContact O-OG1 3.32Å; T474-F476 PolarHBondContact O-N 3.42Å; T474-C477 PolarHBondContact O-N 2.97Å; T474-F478 PolarHBondContact O-N 2.99Å; T474-D522 WeakPolarHBondContact CG2-OD1 3.41Å; T474-V523 HydrophobicContact CG2-CG2 4.24Å; T474-V523 WeakPolarHBondContact OG1-CG2 3.21Å
475L92.3Very high90.3Very high0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-61.3-42.8174.9-177.759000111.6L440 V444 V471 F473 F478 T479 F529 V537L440-L475 HydrophobicContact CD1-CD2 4.37Å; L440-L475 HydrophobicContact CD2-CD1 4.23Å; L440-L475 HydrophobicContact CD2-CD2 4.16Å; L440-L475 HydrophobicContact CG-CD2 4.31Å; V444-L475 HydrophobicContact CG2-CD2 3.72Å; V471-L475 WeakPolarHBondContact O-CB 3.19Å; V471-L475 PolarHBondContact O-N 2.94Å; F473-L475 VanDerWaalsContact C-N 3.28Å; F473-L475 PolarHBondContact O-N 3.19Å; L475-F478 PolarHBondContact O-N 3.31Å; L475-T479 HydrophobicContact CD1-CG2 4.18Å; L475-T479 HydrophobicContact CG-CG2 4.37Å; L475-T479 VanDerWaalsContact O-CG2 3.25Å; L475-T479 WeakPolarHBondContact O-CG2 3.41Å; L475-T479 PolarHBondContact O-N 2.98Å; L475-T479 PolarHBondContact O-OG1 3.37Å; L475-F529 HydrophobicContact CB-CE2 3.98Å; L475-F529 HydrophobicContact CB-CZ 3.88Å; L475-F529 HydrophobicContact CD1-CD1 4.12Å; L475-F529 HydrophobicContact CD1-CE1 4Å; L475-F529 HydrophobicContact CD1-CE2 4.47Å; L475-F529 HydrophobicContact CD1-CG 4.42Å; L475-F529 HydrophobicContact CD1-CZ 4.2Å; L475-V537 HydrophobicContact CD1-CB 3.82Å; L475-V537 HydrophobicContact CD1-CG1 3.7Å; L475-V537 HydrophobicContact CD1-CG2 3.84Å
476F94.1Very high90.2Very high0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-58-50.2173.9173.4-107.9000112I472 F473 T474 F478 T479 K480 R487 C490 Q491 L494 C567 L571I472-F476 WeakPolarHBondContact O-CB 3.43Å; I472-F476 PolarHBondContact O-N 3.33Å; F473-F476 HydrophobicContact CD2-CD1 4.43Å; F473-F476 WeakPolarHBondContact O-CB 3.25Å; F473-F476 PolarHBondContact O-N 3.26Å; F473-F476 VanDerWaalsContact O-N 3.14Å; T474-F476 PolarHBondContact O-N 3.42Å; F476-F478 VanDerWaalsContact C-N 3.28Å; F476-F478 PolarHBondContact O-N 3.03Å; F476-T479 WeakPolarHBondContact CA-OG1 3.35Å; F476-T479 CarbonylContact O-C 3.6Å; F476-T479 PolarHBondContact O-N 2.78Å; F476-T479 VanDerWaalsContact O-N 3.11Å; F476-T479 PolarHBondContact O-OG1 3.33Å; F476-K480 HydrophobicContact CE1-CG 4.31Å; F476-K480 HydrophobicContact CE2-CG 4.18Å; F476-K480 HydrophobicContact CZ-CD 4.3Å; F476-K480 HydrophobicContact CZ-CG 4.09Å; F476-K480 PolarHBondContact O-N 3.4Å; F476-R487 HydrophobicContact CE2-CG 4.49Å; F476-C490 HydrophobicContact CB-CB 4.05Å; F476-C490 HydrophobicContact CD2-CB 4.42Å; F476-Q491 HydrophobicContact CD2-CB 4.07Å; F476-Q491 HydrophobicContact CE2-CB 3.67Å; F476-Q491 HydrophobicContact CE2-CG 3.84Å; F476-Q491 HydrophobicContact CZ-CG 4.29Å; F476-L494 HydrophobicContact CB-CD1 3.81Å; F476-L494 HydrophobicContact CD1-CD1 4.27Å; F476-L494 HydrophobicContact CG-CD1 4Å; F476-C567 HydrophobicContact CD1-CB 4.4Å; F476-C567 HydrophobicContact CE1-CB 4.14Å; F476-L571 HydrophobicContact CD1-CD1 3.9Å; F476-L571 HydrophobicContact CD1-CD2 4.49Å; F476-L571 HydrophobicContact CD1-CG 4.33Å; F476-L571 HydrophobicContact CE1-CD1 3.65Å; F476-L571 HydrophobicContact CE1-CD2 3.81Å; F476-L571 HydrophobicContact CE1-CG 3.6Å; F476-L571 HydrophobicContact CE2-CD2 4.28Å; F476-L571 HydrophobicContact CZ-CD1 4.37Å; F476-L571 HydrophobicContact CZ-CD2 3.65Å; F476-L571 HydrophobicContact CZ-CG 3.92Å
477C92.1Very high90.4Very high7 Ų732.1 Ų32.15%0.04716%0.161CC..Hα-helixtrans-57.9-38.6176.8-62.90000112.4F473 T474 K480 Q481 W563 C567F473-C477 PolarHBondContact O-N 3.04Å; F473-C477 PolarHBondContact O-SG 3.13Å; T474-C477 PolarHBondContact O-N 2.97Å; C477-K480 PolarHBondContact O-N 2.58Å; C477-Q481 PolarHBondContact O-N 2.96Å; C477-W563 PolarHBondContact O-NE1 3.35Å; C477-C567 HydrophobicContact CB-CB 4.48Å; C477-C567 WeakPolarHBondContact SG-CB 3.43Å
478F91.2Very high90.6Very high41 Ų4131.2 Ų31.218%0.1816%0.164CC..Hα-helixtrans-68-43.8173.5-179.7-95.2000112.5T474 L475 F476 K480 Q481 S482 F529 A531 V537T474-F478 PolarHBondContact O-N 2.99Å; L475-F478 PolarHBondContact O-N 3.31Å; F476-F478 VanDerWaalsContact C-N 3.28Å; F476-F478 PolarHBondContact O-N 3.03Å; F478-K480 PolarHBondContact O-N 2.91Å; F478-Q481 PolarHBondContact O-N 3.4Å; F478-Q481 VanDerWaalsContact O-N 3.16Å; F478-S482 WeakPolarHBondContact CE1-OG 3.5Å; F478-S482 PolarHBondContact O-N 3.48Å; F478-S482 PolarHBondContact O-OG 2.89Å; F478-F529 HydrophobicContact CB-CB 4.34Å; F478-F529 HydrophobicContact CB-CD2 4.35Å; F478-F529 HydrophobicContact CD1-CB 3.95Å; F478-F529 HydrophobicContact CD2-CB 3.82Å; F478-F529 HydrophobicContact CE1-CB 4.22Å; F478-F529 HydrophobicContact CE2-CB 4.09Å; F478-F529 VanDerWaalsContact CE2-O 3.27Å; F478-F529 WeakPolarHBondContact CE2-O 3.39Å; F478-F529 HydrophobicContact CG-CB 3.75Å; F478-F529 HydrophobicContact CG-CG 4.5Å; F478-F529 HydrophobicContact CZ-CB 4.29Å; F478-A531 HydrophobicContact CZ-CB 4.45Å; F478-V537 HydrophobicContact CD1-CG1 3.86Å; F478-V537 HydrophobicContact CD1-CG2 3.92Å; F478-V537 HydrophobicContact CE1-CB 4.43Å; F478-V537 HydrophobicContact CE1-CG1 3.74Å; F478-V537 HydrophobicContact CE1-CG2 3.84Å
479T91.3Very high90.6Very high0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-69.1-12.9176.765.50000113.5L475 F476 L486 R487 V537L475-T479 HydrophobicContact CD1-CG2 4.18Å; L475-T479 HydrophobicContact CG-CG2 4.37Å; L475-T479 VanDerWaalsContact O-CG2 3.25Å; L475-T479 WeakPolarHBondContact O-CG2 3.41Å; L475-T479 PolarHBondContact O-N 2.98Å; L475-T479 PolarHBondContact O-OG1 3.37Å; F476-T479 WeakPolarHBondContact CA-OG1 3.35Å; F476-T479 CarbonylContact O-C 3.6Å; F476-T479 PolarHBondContact O-N 2.78Å; F476-T479 VanDerWaalsContact O-N 3.11Å; F476-T479 PolarHBondContact O-OG1 3.33Å; T479-L486 HydrophobicContact CG2-CB 4.11Å; T479-R487 VanDerWaalsContact O-CZ 3.24Å; T479-R487 PolarHBondContact O-NE 3.44Å; T479-R487 PolarHBondContact O-NH2 3.27Å; T479-R487 WeakPolarHBondContact OG1-CA 3.49Å; T479-V537 HydrophobicContact CG2-CG2 4.15Å
480K89.4Confident90.8Very high54 Ų5432.3 Ų32.324%0.23517%0.172CC..Hα-helixtrans-79-36.3169.6-78.8-88.9-169.6159.40112.2F476 C477 F478 W563F476-K480 HydrophobicContact CE1-CG 4.31Å; F476-K480 HydrophobicContact CE2-CG 4.18Å; F476-K480 HydrophobicContact CZ-CD 4.3Å; F476-K480 HydrophobicContact CZ-CG 4.09Å; F476-K480 PolarHBondContact O-N 3.4Å; C477-K480 PolarHBondContact O-N 2.58Å; F478-K480 PolarHBondContact O-N 2.91Å; K480-W563 HydrophobicContact CB-CH2 4.35Å; K480-W563 HydrophobicContact CB-CZ2 3.58Å
481Q85.9Confident90.9Very high129 Ų12934 Ų3460%0.60318%0.179SC*.Hα-helixtrans-78.3-35.9174.8-63.3177.8-24.600112.5C477 F478 W563C477-Q481 PolarHBondContact O-N 2.96Å; F478-Q481 PolarHBondContact O-N 3.4Å; F478-Q481 VanDerWaalsContact O-N 3.16Å; Q481-W563 HydrophobicContact CG-CD2 4.38Å; Q481-W563 VanDerWaalsContact CG-CE2 3.44Å; Q481-W563 HydrophobicContact CG-CH2 4.44Å; Q481-W563 HydrophobicContact CG-CZ2 3.46Å; Q481-W563 VanDerWaalsContact CG-CZ2 3.46Å
482S80.6Confident91Very high20 Ų2037.7 Ų37.714%0.1420%0.197CC..THydrogen-bonded Turntrans-98161.6-179.261.50000112.8F478 S484 R487F478-S482 WeakPolarHBondContact CE1-OG 3.5Å; F478-S482 PolarHBondContact O-N 3.48Å; F478-S482 PolarHBondContact O-OG 2.89Å; S482-S484 PolarHBondContact O-N 3.18Å; S482-R487 PolarHBondContact O-NH2 2.85Å
483V79.4Confident91Very high123 Ų12337.7 Ų37.775%0.74520%0.196SC*.THydrogen-bonded Turntrans-88.496.7170.9-1780000108.5
484S88.6Confident91Very high12 Ų1237.8 Ų37.88%0.08420%0.197CC..  trans-134.2144.5176.7-1790000112.7S482 L486 G535S482-S484 PolarHBondContact O-N 3.18Å; S484-L486 PolarHBondContact O-N 3.44Å; S484-L486 PolarHBondContact OG-N 2.96Å; S484-G535 VanDerWaalsContact CA-O 3.22Å; S484-G535 WeakPolarHBondContact CA-O 3.45Å; S484-G535 WeakPolarHBondContact CB-O 3.25Å; S484-G535 PolarHBondContact OG-O 3.44Å
485H90.3Very high91.2Very high97 Ų9737 Ų3745%0.44919%0.192SC..THydrogen-bonded Turntrans-70.6-18176.162.6-97.6000113.1T441 R487 P489 G535 G536T441-H485 WeakPolarHBondContact CG2-NE2 3.43Å; H485-R487 PolarHBondContact O-N 3.02Å; H485-P489 WeakPolarHBondContact O-CD 3.4Å; H485-G535 PolarHBondContact N-O 3.14Å; H485-G535 PolarHBondContact ND1-O 3.34Å; H485-G536 PolarHBondContact CE1-N 2.74Å
486L91.1Very high91.2Very high1 Ų137.7 Ų37.71%0.00520%0.195CC..THydrogen-bonded Turntrans-71.9-13.1179.9-62-178.3000114.2T441 V444 T479 S484 A488 P489 C490 V537T441-L486 HydrophobicContact CG2-CD2 4.14Å; V444-L486 HydrophobicContact CB-CD2 4.24Å; V444-L486 HydrophobicContact CG1-CD2 4.17Å; T479-L486 HydrophobicContact CG2-CB 4.11Å; S484-L486 PolarHBondContact O-N 3.44Å; S484-L486 PolarHBondContact OG-N 2.96Å; L486-A488 PolarHBondContact O-N 3.25Å; L486-P489 WeakPolarHBondContact O-CD 3.48Å; L486-C490 PolarHBondContact O-N 3.29Å; L486-C490 PolarHBondContact O-SG 3.27Å; L486-V537 HydrophobicContact CD1-CB 4.32Å; L486-V537 HydrophobicContact CD1-CG2 4.22Å
487R92.9Very high91.2Very high89 Ų8937.8 Ų37.834%0.33620%0.195SC..Hα-helixtrans-52.8-52-177.6-172.4-172.2-62.4153.1-0.4113.1F476 T479 S482 H485 Q491F476-R487 HydrophobicContact CE2-CG 4.49Å; T479-R487 VanDerWaalsContact O-CZ 3.24Å; T479-R487 PolarHBondContact O-NE 3.44Å; T479-R487 PolarHBondContact O-NH2 3.27Å; T479-R487 WeakPolarHBondContact OG1-CA 3.49Å; S482-R487 PolarHBondContact O-NH2 2.85Å; H485-R487 PolarHBondContact O-N 3.02Å; R487-Q491 VanDerWaalsContact O-CB 3.25Å; R487-Q491 WeakPolarHBondContact O-CB 3.23Å; R487-Q491 PolarHBondContact O-N 2.96Å
488A93.6Very high91.1Very high58 Ų5837.9 Ų37.948%0.47920%0.195SC..Hα-helixtrans-69.6-45.8-17700000112.7L486 C490 Q491 E492L486-A488 PolarHBondContact O-N 3.25Å; A488-C490 PolarHBondContact O-N 3.5Å; A488-Q491 PolarHBondContact O-N 2.93Å; A488-E492 WeakPolarHBondContact O-CG 3.46Å; A488-E492 PolarHBondContact O-N 3.31Å
489P93.8Very high91.1Very high24 Ų2441.5 Ų41.516%0.15621%0.211CC..Hα-helixtrans-50.5-51168.7-31.936.6000114.3V444 Y448 H485 L486 Q491 E492 I493V444-P489 HydrophobicContact CG1-CB 3.67Å; Y448-P489 HydrophobicContact CG-CB 4.46Å; H485-P489 WeakPolarHBondContact O-CD 3.4Å; L486-P489 WeakPolarHBondContact O-CD 3.48Å; P489-Q491 PolarHBondContact O-N 3.32Å; P489-E492 PolarHBondContact O-N 3.5Å; P489-I493 VanDerWaalsContact O-CD1 3.32Å; P489-I493 WeakPolarHBondContact O-CD1 3.42Å; P489-I493 WeakPolarHBondContact O-CG1 3.49Å; P489-I493 PolarHBondContact O-N 3.32Å
490C94.8Very high91Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-61.3-44.7179.3-64.20000112.1I472 F476 L486 A488 I493 L494I472-C490 HydrophobicContact CG2-CB 4.06Å; F476-C490 HydrophobicContact CB-CB 4.05Å; F476-C490 HydrophobicContact CD2-CB 4.42Å; L486-C490 PolarHBondContact O-N 3.29Å; L486-C490 PolarHBondContact O-SG 3.27Å; A488-C490 PolarHBondContact O-N 3.5Å; C490-I493 PolarHBondContact O-N 2.83Å; C490-L494 WeakPolarHBondContact O-CD1 3.47Å; C490-L494 VanDerWaalsContact O-CG 3.31Å; C490-L494 WeakPolarHBondContact O-CG 3.28Å; C490-L494 PolarHBondContact O-N 3.36Å
491Q94.8Very high91Very high37 Ų3743 Ų4317%0.17322%0.223CC..Hα-helixtrans-58.1-49.9177.5-170.5174.5-43.900111.8F476 R487 A488 P489 I493 L494 L495 L571F476-Q491 HydrophobicContact CD2-CB 4.07Å; F476-Q491 HydrophobicContact CE2-CB 3.67Å; F476-Q491 HydrophobicContact CE2-CG 3.84Å; F476-Q491 HydrophobicContact CZ-CG 4.29Å; R487-Q491 VanDerWaalsContact O-CB 3.25Å; R487-Q491 WeakPolarHBondContact O-CB 3.23Å; R487-Q491 PolarHBondContact O-N 2.96Å; A488-Q491 PolarHBondContact O-N 2.93Å; P489-Q491 PolarHBondContact O-N 3.32Å; Q491-I493 PolarHBondContact O-N 3.49Å; Q491-L494 PolarHBondContact O-N 2.94Å; Q491-L495 HydrophobicContact CG-CD1 4.12Å; Q491-L495 WeakPolarHBondContact O-CB 3.39Å; Q491-L495 VanDerWaalsContact O-CG 3.24Å; Q491-L495 WeakPolarHBondContact O-CG 3.43Å; Q491-L495 PolarHBondContact O-N 3.07Å; Q491-L571 HydrophobicContact CG-CD2 3.9Å
492E94.9Very high91.1Very high78 Ų7844 Ų4436%0.36423%0.227SC..Hα-helixtrans-67-35.1179.6-70.9-66.2165.600112.8Y448 V452 A488 P489 W496Y448-E492 HydrophobicContact CD2-CB 4.05Å; Y448-E492 HydrophobicContact CE2-CB 3.74Å; Y448-E492 HydrophobicContact CE2-CG 4.11Å; V452-E492 HydrophobicContact CG1-CB 4.24Å; V452-E492 HydrophobicContact CG2-CB 4.36Å; A488-E492 WeakPolarHBondContact O-CG 3.46Å; A488-E492 PolarHBondContact O-N 3.31Å; P489-E492 PolarHBondContact O-N 3.5Å; E492-W496 WeakPolarHBondContact O-CB 3.31Å; E492-W496 PolarHBondContact O-N 3.42Å
493I95.1Very high91.5Very high0 Ų046.6 Ų46.60%024%0.242CC..Hα-helixtrans-64.1-45174.6-66.8159.9000110.9V444 V447 V452 L465 L469 I472 P489 C490 Q491 W496 F497V444-I493 HydrophobicContact CG1-CD1 4.31Å; V447-I493 HydrophobicContact CB-CD1 3.9Å; V447-I493 HydrophobicContact CG1-CD1 3.65Å; V447-I493 HydrophobicContact CG1-CG1 3.97Å; V447-I493 HydrophobicContact CG1-CG2 3.87Å; V452-I493 HydrophobicContact CG2-CB 4.47Å; V452-I493 HydrophobicContact CG2-CG1 3.89Å; L465-I493 HydrophobicContact CD1-CG2 3.88Å; L465-I493 HydrophobicContact CD2-CG2 4.02Å; L469-I493 HydrophobicContact CD2-CG2 4.3Å; I472-I493 HydrophobicContact CD1-CG2 4.06Å; I472-I493 HydrophobicContact CG2-CG2 4.44Å; P489-I493 VanDerWaalsContact O-CD1 3.32Å; P489-I493 WeakPolarHBondContact O-CD1 3.42Å; P489-I493 WeakPolarHBondContact O-CG1 3.49Å; P489-I493 PolarHBondContact O-N 3.32Å; C490-I493 PolarHBondContact O-N 2.83Å; Q491-I493 PolarHBondContact O-N 3.49Å; I493-W496 PolarHBondContact O-N 3.44Å; I493-F497 PolarHBondContact O-N 2.81Å; I493-F497 VanDerWaalsContact O-N 3.12Å
494L94.6Very high91.9Very high2 Ų244.6 Ų44.61%0.0123%0.234CC..Hα-helixtrans-62.3-48.3177.1-71.2158.9000111L469 I472 F473 F476 C490 Q491 W496 F497 L498 L571L469-L494 HydrophobicContact CD2-CD2 4.05Å; I472-L494 HydrophobicContact CG2-CD1 4.37Å; I472-L494 HydrophobicContact CG2-CG 4.16Å; F473-L494 HydrophobicContact CB-CD2 4.14Å; F473-L494 HydrophobicContact CD2-CD1 4.35Å; F476-L494 HydrophobicContact CB-CD1 3.81Å; F476-L494 HydrophobicContact CD1-CD1 4.27Å; F476-L494 HydrophobicContact CG-CD1 4Å; C490-L494 WeakPolarHBondContact O-CD1 3.47Å; C490-L494 VanDerWaalsContact O-CG 3.31Å; C490-L494 WeakPolarHBondContact O-CG 3.28Å; C490-L494 PolarHBondContact O-N 3.36Å; Q491-L494 PolarHBondContact O-N 2.94Å; L494-W496 PolarHBondContact O-N 3.22Å; L494-F497 PolarHBondContact O-N 2.83Å; L494-L498 WeakPolarHBondContact O-CG 3.33Å; L494-L498 PolarHBondContact O-N 3.31Å; L494-L498 VanDerWaalsContact O-N 3.08Å; L494-L571 HydrophobicContact CB-CD1 4.4Å; L494-L571 HydrophobicContact CB-CD2 4.46Å; L494-L571 HydrophobicContact CD1-CD1 3.92Å
495L93.7Very high91.9Very high4 Ų445.4 Ų45.42%0.02124%0.241CC..Hα-helixtrans-63.4-38.8177.3-67170.7000112.4Q491 L498 K499 L571 Q574 L575Q491-L495 HydrophobicContact CG-CD1 4.12Å; Q491-L495 WeakPolarHBondContact O-CB 3.39Å; Q491-L495 VanDerWaalsContact O-CG 3.24Å; Q491-L495 WeakPolarHBondContact O-CG 3.43Å; Q491-L495 PolarHBondContact O-N 3.07Å; L495-L498 PolarHBondContact O-N 3.37Å; L495-K499 VanDerWaalsContact O-CB 3.3Å; L495-K499 WeakPolarHBondContact O-CB 3.23Å; L495-K499 WeakPolarHBondContact O-CG 3.48Å; L495-K499 PolarHBondContact O-N 2.97Å; L495-L571 HydrophobicContact CD2-CD2 4.43Å; L495-L571 HydrophobicContact CG-CD2 4.4Å; L495-Q574 HydrophobicContact CD1-CB 4.39Å; L495-Q574 HydrophobicContact CD2-CB 4.09Å; L495-L575 HydrophobicContact CD2-CD2 3.55Å; L495-L575 HydrophobicContact CD2-CG 4.04Å
496W93.9Very high91.9Very high15 Ų1540.9 Ų40.96%0.05722%0.221CC..Hα-helixtrans-62.5-43.5177.8-179.192.2000111.7W451 V452 N455 P457 L462 L465 E492 I493 L494 K499 L500W451-W496 HydrophobicContact CB-CD2 4.3Å; W451-W496 HydrophobicContact CB-CE3 4.16Å; W451-W496 HydrophobicContact CB-CH2 4.33Å; W451-W496 HydrophobicContact CB-CZ2 4.42Å; W451-W496 HydrophobicContact CB-CZ3 4.21Å; W451-W496 AromaticContact CD1-CH2 3.73Å; W451-W496 AromaticContact CD1-CZ3 3.51Å; W451-W496 HydrophobicContact CG-CH2 4.42Å; W451-W496 HydrophobicContact CG-CZ3 4.28Å; W451-W496 PolarHBondContact O-NE1 3.3Å; V452-W496 HydrophobicContact CG2-CB 3.95Å; V452-W496 HydrophobicContact CG2-CG 4.18Å; N455-W496 PolarHBondContact OD1-NE1 2.82Å; P457-W496 HydrophobicContact CB-CH2 4.27Å; P457-W496 HydrophobicContact CB-CZ2 4.33Å; L462-W496 HydrophobicContact CD2-CH2 4.16Å; L462-W496 HydrophobicContact CD2-CZ3 3.81Å; L465-W496 HydrophobicContact CD2-CE3 4.18Å; L465-W496 HydrophobicContact CD2-CZ3 4.17Å; E492-W496 WeakPolarHBondContact O-CB 3.31Å; E492-W496 PolarHBondContact O-N 3.42Å; I493-W496 PolarHBondContact O-N 3.44Å; L494-W496 PolarHBondContact O-N 3.22Å; W496-K499 PolarHBondContact O-N 2.91Å; W496-L500 HydrophobicContact CD2-CD1 3.92Å; W496-L500 HydrophobicContact CG-CD1 4.24Å; W496-L500 HydrophobicContact CH2-CD1 4.32Å; W496-L500 HydrophobicContact CZ2-CD1 3.62Å; W496-L500 VanDerWaalsContact NE1-CD1 3.33Å; W496-L500 PolarHBondContact O-N 3.25Å
497F92.6Very high91.9Very high2 Ų242.3 Ų42.31%0.00923%0.228CC..Hα-helixtrans-65.7-46.4176.4-177-90.7000111.8L462 L465 Q466 L469 I493 L494 K499 L500 S501 L509L462-F497 HydrophobicContact CB-CE2 4.3Å; L462-F497 HydrophobicContact CD2-CD2 3.76Å; L462-F497 HydrophobicContact CD2-CE2 3.93Å; L465-F497 HydrophobicContact CD2-CB 4.24Å; L465-F497 HydrophobicContact CD2-CD2 4.13Å; L465-F497 HydrophobicContact CG-CD2 4.48Å; Q466-F497 HydrophobicContact CB-CE2 4.13Å; Q466-F497 HydrophobicContact CB-CZ 4.11Å; Q466-F497 HydrophobicContact CG-CZ 4.26Å; L469-F497 HydrophobicContact CD1-CB 3.95Å; L469-F497 HydrophobicContact CD1-CD1 3.42Å; L469-F497 VanDerWaalsContact CD1-CD1 3.42Å; L469-F497 HydrophobicContact CD1-CD2 3.6Å; L469-F497 HydrophobicContact CD1-CE1 3.7Å; L469-F497 HydrophobicContact CD1-CE2 3.85Å; L469-F497 HydrophobicContact CD1-CG 3.36Å; L469-F497 HydrophobicContact CD1-CZ 3.9Å; I493-F497 PolarHBondContact O-N 2.81Å; I493-F497 VanDerWaalsContact O-N 3.12Å; L494-F497 PolarHBondContact O-N 2.83Å; F497-K499 VanDerWaalsContact C-N 3.27Å; F497-K499 PolarHBondContact O-N 3.02Å; F497-L500 PolarHBondContact O-N 2.83Å; F497-S501 WeakPolarHBondContact CD1-OG 3.33Å; F497-S501 VanDerWaalsContact CE1-OG 3.29Å; F497-S501 WeakPolarHBondContact CE1-OG 3.34Å; F497-S501 WeakPolarHBondContact CE2-OG 3.43Å; F497-S501 VanDerWaalsContact CZ-OG 3.29Å; F497-S501 WeakPolarHBondContact CZ-OG 3.4Å; F497-S501 VanDerWaalsContact O-CB 3.3Å; F497-S501 WeakPolarHBondContact O-CB 3.46Å; F497-S501 PolarHBondContact O-N 2.89Å; F497-S501 PolarHBondContact O-OG 2.75Å; F497-L509 HydrophobicContact CD1-CD2 3.64Å; F497-L509 HydrophobicContact CE1-CD2 3.52Å
498L91.4Very high91.8Very high9 Ų939.5 Ų39.55%0.04722%0.222CC..Hα-helixtrans-66.5-26.2-179.7-65.8172.5000113.1L494 L495 A506 L509 L510 L575 L580L494-L498 WeakPolarHBondContact O-CG 3.33Å; L494-L498 PolarHBondContact O-N 3.31Å; L494-L498 VanDerWaalsContact O-N 3.08Å; L495-L498 PolarHBondContact O-N 3.37Å; L498-A506 HydrophobicContact CD2-CB 4.31Å; L498-L509 HydrophobicContact CD2-CD2 4.33Å; L498-L510 HydrophobicContact CD1-CD2 4.36Å; L498-L510 HydrophobicContact CD2-CD2 4.11Å; L498-L510 HydrophobicContact CD2-CG 4.34Å; L498-L575 HydrophobicContact CB-CD1 4.07Å; L498-L575 HydrophobicContact CD1-CD1 4.23Å; L498-L580 HydrophobicContact CB-CD2 4.14Å; L498-L580 HydrophobicContact CD2-CD2 4.06Å
499K90.3Very high91.6Very high117 Ų11736.8 Ų36.851%0.50920%0.2SC..Hα-helixtrans-81.9-19.5176.4-73.8172.1-175.1178.50114.6L495 W496 F497 L575L495-K499 VanDerWaalsContact O-CB 3.3Å; L495-K499 WeakPolarHBondContact O-CB 3.23Å; L495-K499 WeakPolarHBondContact O-CG 3.48Å; L495-K499 PolarHBondContact O-N 2.97Å; W496-K499 PolarHBondContact O-N 2.91Å; F497-K499 VanDerWaalsContact C-N 3.27Å; F497-K499 PolarHBondContact O-N 3.02Å; K499-L575 HydrophobicContact CD-CD2 4.22Å; K499-L575 VanDerWaalsContact CE-CD2 3.45Å; K499-L575 HydrophobicContact CG-CD2 3.73Å
500L89.3Confident91.5Very high66 Ų6635.7 Ų35.735%0.34619%0.192SC..Hα-helixtrans-123-6-170.8-64.1176.9000115P457 W496 F497P457-L500 HydrophobicContact CB-CB 4.5Å; P457-L500 HydrophobicContact CB-CD1 4.33Å; P457-L500 HydrophobicContact CG-CD1 4.21Å; W496-L500 HydrophobicContact CD2-CD1 3.92Å; W496-L500 HydrophobicContact CG-CD1 4.24Å; W496-L500 HydrophobicContact CH2-CD1 4.32Å; W496-L500 HydrophobicContact CZ2-CD1 3.62Å; W496-L500 VanDerWaalsContact NE1-CD1 3.33Å; W496-L500 PolarHBondContact O-N 3.25Å; F497-L500 PolarHBondContact O-N 2.83Å
501S88.6Confident91.2Very high20 Ų2038.2 Ų38.214%0.1420%0.202CC..SBendtrans-82.9158.1174.2-59.50000111.8F497F497-S501 WeakPolarHBondContact CD1-OG 3.33Å; F497-S501 VanDerWaalsContact CE1-OG 3.29Å; F497-S501 WeakPolarHBondContact CE1-OG 3.34Å; F497-S501 WeakPolarHBondContact CE2-OG 3.43Å; F497-S501 VanDerWaalsContact CZ-OG 3.29Å; F497-S501 WeakPolarHBondContact CZ-OG 3.4Å; F497-S501 VanDerWaalsContact O-CB 3.3Å; F497-S501 WeakPolarHBondContact O-CB 3.46Å; F497-S501 PolarHBondContact O-N 2.89Å; F497-S501 PolarHBondContact O-OG 2.75Å
502E89.1Confident90.9Very high151 Ų15137.7 Ų37.771%0.70620%0.2SC*.  trans-62.9142.8168.4-63-178.3-176.300110.5S504 A505 A506E502-S504 PolarHBondContact O-N 3.16Å; E502-S504 VanDerWaalsContact O-N 3.14Å; E502-A505 PolarHBondContact O-N 2.93Å; E502-A506 PolarHBondContact O-N 2.88Å
503T87.9Confident90.6Very high73 Ų7334.1 Ų34.145%0.44818%0.183SC..Hα-helixtrans-55-37.9-174.7-42.30000112.6A506 L507 L580T503-A506 PolarHBondContact O-N 3.25Å; T503-L507 HydrophobicContact CG2-CD1 4.03Å; T503-L507 HydrophobicContact CG2-CG 4.31Å; T503-L507 WeakPolarHBondContact O-CB 3.34Å; T503-L507 WeakPolarHBondContact O-CG 3.48Å; T503-L507 PolarHBondContact O-N 3.11Å; T503-L580 HydrophobicContact CG2-CD1 4.13Å
504S88.7Confident90.2Very high81 Ų8134.3 Ų34.357%0.56618%0.184SC*.Hα-helixtrans-61.2-42.9175.350.10000113.2E502 S508E502-S504 PolarHBondContact O-N 3.16Å; E502-S504 VanDerWaalsContact O-N 3.14Å; S504-S508 VanDerWaalsContact O-CB 3.3Å; S504-S508 WeakPolarHBondContact O-CB 3.28Å; S504-S508 PolarHBondContact O-N 2.78Å
505A88.8Confident89.5Confident30 Ų3035.1 Ų35.125%0.24819%0.193CC..Hα-helixtrans-71.3-38.9176.800000111.6E502 S508 L509E502-A505 PolarHBondContact O-N 2.93Å; A505-S508 PolarHBondContact O-N 3.32Å; A505-L509 PolarHBondContact O-N 3.17Å
506A90.7Very high88.7Confident2 Ų235.6 Ų35.62%0.01720%0.195CC..Hα-helixtrans-64.2-48.5175.600000111.9L498 E502 T503 S508 L509 L510 L580L498-A506 HydrophobicContact CD2-CB 4.31Å; E502-A506 PolarHBondContact O-N 2.88Å; T503-A506 PolarHBondContact O-N 3.25Å; A506-S508 PolarHBondContact O-N 3.29Å; A506-L509 WeakPolarHBondContact O-CB 3.04Å; A506-L509 PolarHBondContact O-N 3.11Å; A506-L509 VanDerWaalsContact O-N 3.13Å; A506-L510 WeakPolarHBondContact O-CG 3.44Å; A506-L510 PolarHBondContact O-N 3.19Å; A506-L580 HydrophobicContact CB-CD1 3.77Å; A506-L580 HydrophobicContact CB-CD2 3.86Å
507L90.6Very high88Confident30 Ų3040.6 Ų40.616%0.15721%0.214CC..Hα-helixtrans-60.3-43.2174.6-70.6171000112T503 L509 L510 R511 L580 F584T503-L507 HydrophobicContact CG2-CD1 4.03Å; T503-L507 HydrophobicContact CG2-CG 4.31Å; T503-L507 WeakPolarHBondContact O-CB 3.34Å; T503-L507 WeakPolarHBondContact O-CG 3.48Å; T503-L507 PolarHBondContact O-N 3.11Å; L507-L509 PolarHBondContact O-N 3.03Å; L507-L510 PolarHBondContact O-N 3.14Å; L507-R511 WeakPolarHBondContact O-CG 3.13Å; L507-R511 PolarHBondContact O-N 3.31Å; L507-L580 HydrophobicContact CD2-CD1 3.97Å; L507-L580 HydrophobicContact CG-CD1 4.05Å; L507-F584 VanDerWaalsContact CD2-CA 3.46Å; L507-F584 HydrophobicContact CD2-CB 3.65Å; L507-F584 HydrophobicContact CD2-CD2 3.97Å; L507-F584 HydrophobicContact CD2-CG 4.29Å
508S90.3Very high87Confident31 Ų3146.5 Ų46.522%0.21724%0.242CC..Hα-helixtrans-60.5-33.2175179.90000112.8S504 A505 A506 Q512 R517S504-S508 VanDerWaalsContact O-CB 3.3Å; S504-S508 WeakPolarHBondContact O-CB 3.28Å; S504-S508 PolarHBondContact O-N 2.78Å; A505-S508 PolarHBondContact O-N 3.32Å; A506-S508 PolarHBondContact O-N 3.29Å; S508-Q512 PolarHBondContact O-N 3.35Å; S508-R517 PolarHBondContact OG-NH1 3.03Å
509L89.5Confident86.1Confident1 Ų150.8 Ų50.81%0.00526%0.257CS..Hα-helixtrans-74.5-44.1173.3179.865.9000111.2L469 F497 L498 A505 A506 L507 R511 Q512 L513L469-L509 HydrophobicContact CB-CD1 4.28Å; L469-L509 HydrophobicContact CB-CD2 4.32Å; L469-L509 HydrophobicContact CD1-CD2 3.53Å; F497-L509 HydrophobicContact CD1-CD2 3.64Å; F497-L509 HydrophobicContact CE1-CD2 3.52Å; L498-L509 HydrophobicContact CD2-CD2 4.33Å; A505-L509 PolarHBondContact O-N 3.17Å; A506-L509 WeakPolarHBondContact O-CB 3.04Å; A506-L509 PolarHBondContact O-N 3.11Å; A506-L509 VanDerWaalsContact O-N 3.13Å; L507-L509 PolarHBondContact O-N 3.03Å; L509-R511 VanDerWaalsContact C-N 3.31Å; L509-R511 PolarHBondContact O-N 3.3Å; L509-Q512 CarbonylContact O-C 3.53Å; L509-Q512 WeakPolarHBondContact O-CA 3.27Å; L509-Q512 WeakPolarHBondContact O-CB 3.36Å; L509-Q512 PolarHBondContact O-N 3.01Å; L509-L513 HydrophobicContact CD1-CD1 4.3Å; L509-L513 HydrophobicContact CD1-CD2 4.11Å; L509-L513 HydrophobicContact CD1-CG 4Å; L509-L513 HydrophobicContact CD2-CD1 4.38Å; L509-L513 HydrophobicContact CG-CD1 4.01Å; L509-L513 HydrophobicContact CG-CG 4.07Å; L509-L513 WeakPolarHBondContact O-CG 3.46Å; L509-L513 PolarHBondContact O-N 3.16Å
510L91.3Very high85.2Confident0 Ų052.1 Ų52.10%026%0.259CS..Hα-helixtrans-59.1-40.9178.6-67.9176000112.1L498 A506 L507 Q512 L513 S514 L568 L572 L580 F584L498-L510 HydrophobicContact CD1-CD2 4.36Å; L498-L510 HydrophobicContact CD2-CD2 4.11Å; L498-L510 HydrophobicContact CD2-CG 4.34Å; A506-L510 WeakPolarHBondContact O-CG 3.44Å; A506-L510 PolarHBondContact O-N 3.19Å; L507-L510 PolarHBondContact O-N 3.14Å; L510-Q512 VanDerWaalsContact C-N 3.31Å; L510-Q512 PolarHBondContact O-N 3.45Å; L510-L513 PolarHBondContact O-N 3.45Å; L510-S514 WeakPolarHBondContact O-CB 3.42Å; L510-S514 PolarHBondContact O-N 2.96Å; L510-S514 PolarHBondContact O-OG 3.13Å; L510-L568 HydrophobicContact CD2-CD1 3.83Å; L510-L568 HydrophobicContact CD2-CG 4.46Å; L510-L572 HydrophobicContact CD1-CD2 3.93Å; L510-L572 HydrophobicContact CD2-CD2 3.95Å; L510-L580 HydrophobicContact CD1-CD1 4.11Å; L510-L580 HydrophobicContact CD1-CD2 4Å; L510-L580 HydrophobicContact CD1-CG 3.86Å; L510-F584 HydrophobicContact CB-CD1 4.38Å; L510-F584 HydrophobicContact CB-CD2 3.82Å; L510-F584 HydrophobicContact CB-CE1 4.25Å; L510-F584 HydrophobicContact CB-CE2 3.67Å; L510-F584 HydrophobicContact CB-CG 4.19Å; L510-F584 HydrophobicContact CB-CZ 3.9Å; L510-F584 HydrophobicContact CD1-CB 3.93Å; L510-F584 HydrophobicContact CD1-CD1 4.16Å; L510-F584 HydrophobicContact CD1-CD2 4.16Å; L510-F584 HydrophobicContact CD1-CG 3.83Å
511R89.1Confident84.6Confident54 Ų5451.8 Ų51.820%0.20426%0.258CS..Hα-helixtrans-58.8-37.1170.8-73.5171.9165.4-104.46.4113.2L507 L509 S514 G515 L516 R517 F584 D587 E591L507-R511 WeakPolarHBondContact O-CG 3.13Å; L507-R511 PolarHBondContact O-N 3.31Å; L509-R511 VanDerWaalsContact C-N 3.31Å; L509-R511 PolarHBondContact O-N 3.3Å; R511-S514 WeakPolarHBondContact CA-OG 3.32Å; R511-S514 PolarHBondContact O-OG 2.95Å; R511-G515 PolarHBondContact O-N 2.94Å; R511-L516 CarbonylContact O-C 3.59Å; R511-L516 PolarHBondContact O-N 2.96Å; R511-R517 PolarHBondContact O-N 2.92Å; R511-F584 HydrophobicContact CG-CE2 4.07Å; R511-D587 IonicContact CZ-OD1 3.47Å; R511-D587 IonicContact CZ-OD2 3.94Å; R511-D587 IonicContact NE-OD1 3.37Å; R511-D587 IonicContact NE-OD2 2.69Å; R511-D587 PolarHBondContact NE-OD2 3.08Å; R511-D587 VanDerWaalsContact NH2-CG 3.27Å; R511-D587 IonicContact NH2-OD1 3.16Å; R511-D587 PolarHBondContact NH2-OD1 3.01Å; R511-D587 IonicContact NH2-OD2 2.62Å; R511-D587 PolarHBondContact NH2-OD2 3.47Å; R511-E591 IonicContact CZ-OE2 3.8Å; R511-E591 IonicContact NH1-OE1 2.8Å; R511-E591 PolarHBondContact NH1-OE1 3.38Å; R511-E591 IonicContact NH1-OE2 3.73Å; R511-E591 PolarHBondContact NH1-OE2 3.05Å; R511-E591 IonicContact NH2-OE2 2.76Å; R511-E591 PolarHBondContact NH2-OE2 2.83Å
512Q88.8Confident84.3Confident26 Ų2651.8 Ų51.812%0.12126%0.256CS..Hα-helixtrans-75.1-38177.8-176.6-178.8-11.800112.4S508 L509 L510 G515 R520S508-Q512 PolarHBondContact O-N 3.35Å; L509-Q512 CarbonylContact O-C 3.53Å; L509-Q512 WeakPolarHBondContact O-CA 3.27Å; L509-Q512 WeakPolarHBondContact O-CB 3.36Å; L509-Q512 PolarHBondContact O-N 3.01Å; L510-Q512 VanDerWaalsContact C-N 3.31Å; L510-Q512 PolarHBondContact O-N 3.45Å; Q512-G515 PolarHBondContact O-N 3.35Å; Q512-R520 PolarHBondContact NE2-O 3.44Å
513L88.6Confident84Confident3 Ų345.9 Ų45.92%0.01623%0.23CC..Hα-helixtrans-74.8-32.6178.2-60.9-174.7000112.8P470 F473 L509 L510 G515 L568P470-L513 HydrophobicContact CB-CD2 4.35Å; P470-L513 HydrophobicContact CG-CD2 4.46Å; F473-L513 HydrophobicContact CB-CD1 4.24Å; F473-L513 HydrophobicContact CB-CD2 3.83Å; F473-L513 HydrophobicContact CD1-CB 4.06Å; F473-L513 HydrophobicContact CD1-CD1 4.38Å; F473-L513 HydrophobicContact CD1-CD2 3.75Å; F473-L513 HydrophobicContact CD1-CG 4.26Å; F473-L513 HydrophobicContact CD2-CD1 4.11Å; F473-L513 HydrophobicContact CE1-CB 4.01Å; F473-L513 HydrophobicContact CG-CB 4.48Å; F473-L513 HydrophobicContact CG-CD1 3.98Å; F473-L513 HydrophobicContact CG-CD2 3.88Å; F473-L513 HydrophobicContact CG-CG 4.32Å; F473-L513 HydrophobicContact CZ-CB 4.41Å; L509-L513 HydrophobicContact CD1-CD1 4.3Å; L509-L513 HydrophobicContact CD1-CD2 4.11Å; L509-L513 HydrophobicContact CD1-CG 4Å; L509-L513 HydrophobicContact CD2-CD1 4.38Å; L509-L513 HydrophobicContact CG-CD1 4.01Å; L509-L513 HydrophobicContact CG-CG 4.07Å; L509-L513 WeakPolarHBondContact O-CG 3.46Å; L509-L513 PolarHBondContact O-N 3.16Å; L510-L513 PolarHBondContact O-N 3.45Å; L513-G515 VanDerWaalsContact C-N 3.27Å; L513-G515 PolarHBondContact O-N 3.31Å; L513-L568 HydrophobicContact CB-CD1 3.9Å; L513-L568 HydrophobicContact CB-CD2 4.28Å; L513-L568 HydrophobicContact CD1-CD1 4.01Å
514S85.9Confident83.6Confident4 Ų443.3 Ų43.33%0.02822%0.216CC..THydrogen-bonded Turntrans-76.1-7.8174.454.40000114.3L510 R511 L516L510-S514 WeakPolarHBondContact O-CB 3.42Å; L510-S514 PolarHBondContact O-N 2.96Å; L510-S514 PolarHBondContact O-OG 3.13Å; R511-S514 WeakPolarHBondContact CA-OG 3.32Å; R511-S514 PolarHBondContact O-OG 2.95Å; S514-L516 VanDerWaalsContact C-N 3.33Å
515G81.3Confident82.9Confident18 Ų1844.1 Ų44.119%0.18623%0.228CC..THydrogen-bonded Turntrans80.76.7-17900000115.2R511 Q512 L513 R517R511-G515 PolarHBondContact O-N 2.94Å; Q512-G515 PolarHBondContact O-N 3.35Å; L513-G515 VanDerWaalsContact C-N 3.27Å; L513-G515 PolarHBondContact O-N 3.31Å; G515-R517 PolarHBondContact O-N 3.41Å
516L77Confident82.2Confident15 Ų1544.2 Ų44.28%0.07923%0.229CC..SBendtrans-75.96.3171.7-69.9169.8000113.6R511 S514 L588 L636R511-L516 CarbonylContact O-C 3.59Å; R511-L516 PolarHBondContact O-N 2.96Å; S514-L516 VanDerWaalsContact C-N 3.33Å; L516-L588 HydrophobicContact CD1-CD1 4.36Å; L516-L588 HydrophobicContact CD1-CD2 3.38Å; L516-L636 HydrophobicContact CD1-CD1 3.95Å; L516-L636 HydrophobicContact CD2-CB 3.85Å; L516-L636 HydrophobicContact CD2-CD1 4.14Å
517R77.8Confident81.8Confident120 Ų12044.9 Ų44.945%0.45323%0.232SC..SBendtrans-150.3148.3176.5-163.8175.7-172179.74.4110S508 R511 G515 R519S508-R517 PolarHBondContact OG-NH1 3.03Å; R511-R517 PolarHBondContact O-N 2.92Å; G515-R517 PolarHBondContact O-N 3.41Å; R517-R519 PolarHBondContact O-N 3.49Å
518E72.8Confident81.5Confident125 Ų12548.3 Ų48.358%0.58425%0.246SC*.  trans-38.9126.3171.6-175.8-169.5-148.200112.6R520E518-R520 VanDerWaalsContact C-N 3.25Å; E518-R520 HydrophobicContact CG-CG 4.42Å; E518-R520 PolarHBondContact O-N 3.15Å; E518-R520 IonicContact OE2-CZ 3.64Å; E518-R520 IonicContact OE2-NE 3.96Å; E518-R520 PolarHBondContact OE2-NE 3.09Å; E518-R520 IonicContact OE2-NH2 3.24Å; E518-R520 PolarHBondContact OE2-NH2 2.96Å
519R70.9Confident81.4Confident100 Ų10048 Ų4838%0.37724%0.241SC..  trans-78.369.1-173-65.5-178.9-166.9-159.6-5.2112.7R517 D522 E561R517-R519 PolarHBondContact O-N 3.49Å; R519-D522 HydrophobicContact CB-CB 4.12Å; R519-E561 IonicContact CZ-OE1 3.28Å; R519-E561 IonicContact CZ-OE2 2.77Å; R519-E561 VanDerWaalsContact NH1-CD 3.33Å; R519-E561 IonicContact NH1-OE1 3.89Å; R519-E561 PolarHBondContact NH1-OE1 3.33Å; R519-E561 IonicContact NH1-OE2 2.62Å; R519-E561 PolarHBondContact NH1-OE2 2.86Å; R519-E561 IonicContact NH2-OE1 3.66Å; R519-E561 PolarHBondContact NH2-OE1 3.49Å; R519-E561 IonicContact NH2-OE2 3.81Å; R519-E561 PolarHBondContact NH2-OE2 3.14Å
520R72.3Confident81.4Confident145 Ų14550.3 Ų50.355%0.54726%0.255SS..THydrogen-bonded Turntrans-63.7138.1170.2-61.4179.8-176.3-159.2-5.8109.3Q512 E518 D522Q512-R520 PolarHBondContact NE2-O 3.44Å; E518-R520 VanDerWaalsContact C-N 3.25Å; E518-R520 HydrophobicContact CG-CG 4.42Å; E518-R520 PolarHBondContact O-N 3.15Å; E518-R520 IonicContact OE2-CZ 3.64Å; E518-R520 IonicContact OE2-NE 3.96Å; E518-R520 PolarHBondContact OE2-NE 3.09Å; E518-R520 IonicContact OE2-NH2 3.24Å; E518-R520 PolarHBondContact OE2-NH2 2.96Å; R520-D522 PolarHBondContact O-N 2.84Å; R520-D522 VanDerWaalsContact O-N 3.08Å
521N77.4Confident81.1Confident58 Ų5853.7 Ų53.731%0.3128%0.283SS..THydrogen-bonded Turntrans5523.2174.5-59.69000116.2I412 D467I412-N521 HydrophobicContact CD1-CB 3.95Å; I412-N521 HydrophobicContact CG2-CB 4.39Å; D467-N521 VanDerWaalsContact O-CB 3.27Å; D467-N521 WeakPolarHBondContact O-CB 3.43Å; D467-N521 PolarHBondContact O-ND2 3.43Å; D467-N521 PolarHBondContact OD1-ND2 3.41Å
522D82.4Confident80.8Confident20 Ų2051.9 Ų51.911%0.10728%0.282CS..PPolyproline II helixtrans-80.4173.5168.8-149.4-16000110.6P470 T474 R519 R520 A524 R564P470-D522 HydrophobicContact CB-CB 4.09Å; T474-D522 WeakPolarHBondContact CG2-OD1 3.41Å; R519-D522 HydrophobicContact CB-CB 4.12Å; R520-D522 PolarHBondContact O-N 2.84Å; R520-D522 VanDerWaalsContact O-N 3.08Å; D522-A524 PolarHBondContact O-N 3.21Å; D522-R564 IonicContact OD2-CZ 2.96Å; D522-R564 IonicContact OD2-NH1 3.2Å; D522-R564 PolarHBondContact OD2-NH1 2.84Å; D522-R564 IonicContact OD2-NH2 2.71Å; D522-R564 PolarHBondContact OD2-NH2 2.9Å
523V81.4Confident80.4Confident28 Ų2854.3 Ų54.317%0.1731%0.314CS..PPolyproline II helixtrans-62.2130.3178.6179.10000110.1C411 V471 T474 F527 F529C411-V523 HydrophobicContact CB-CG2 4.32Å; C411-V523 WeakPolarHBondContact O-CA 3.46Å; V471-V523 HydrophobicContact CB-CG2 4.5Å; V471-V523 HydrophobicContact CG1-CG2 4.1Å; V471-V523 HydrophobicContact CG2-CG2 4.36Å; T474-V523 HydrophobicContact CG2-CG2 4.24Å; T474-V523 WeakPolarHBondContact OG1-CG2 3.21Å; V523-F527 HydrophobicContact CG1-CB 3.86Å; V523-F527 WeakPolarHBondContact CG1-O 3.12Å; V523-F529 HydrophobicContact CG2-CE2 3.85Å; V523-F529 HydrophobicContact CG2-CZ 4.02Å
524A80.6Confident80Confident18 Ų1861.4 Ų61.415%0.14935%0.352CS..PPolyproline II helixtrans-60.3139.6179.200000111.3C411 A414 D522 A526 F527C411-A524 PolarHBondContact O-N 2.91Å; A414-A524 HydrophobicContact CB-CB 4.02Å; D522-A524 PolarHBondContact O-N 3.21Å; A524-A526 PolarHBondContact O-N 3.07Å; A524-F527 HydrophobicContact CB-CD2 3.9Å; A524-F527 HydrophobicContact CB-CE2 4.41Å; A524-F527 PolarHBondContact O-N 3.24Å
525A73.9Confident79.7Confident99 Ų9962.4 Ų62.482%0.81836%0.362SS*.THydrogen-bonded Turntrans-58.6-18-174.800000115.4H528A525-H528 PolarHBondContact O-CE1 3.46Å
526A74.6Confident80Confident32 Ų3261.6 Ų61.626%0.26435%0.354SS..THydrogen-bonded Turntrans-79.4-14.2172.900000113.8A524 Q541 S542A524-A526 PolarHBondContact O-N 3.07Å; A526-Q541 HydrophobicContact CB-CG 4.47Å; A526-Q541 CarbonylContact O-C 3.58Å; A526-Q541 WeakPolarHBondContact O-CA 3.48Å; A526-S542 PolarHBondContact O-N 2.96Å
527F82.5Confident80.6Confident16 Ų1660.9 Ų60.97%0.0735%0.35CS..EExtended strand (participates in β ladder)trans-109.8135.7-174.4-66.3-38.6000112R410 A414 A434 V523 A524 V539 T540 Q541R410-F527 WeakPolarHBondContact O-CE2 3.32Å; A414-F527 HydrophobicContact CB-CE2 4.47Å; A434-F527 HydrophobicContact CB-CD1 3.9Å; A434-F527 HydrophobicContact CB-CE1 3.49Å; A434-F527 VanDerWaalsContact CB-CE1 3.49Å; A434-F527 HydrophobicContact CB-CZ 3.96Å; V523-F527 HydrophobicContact CG1-CB 3.86Å; V523-F527 WeakPolarHBondContact CG1-O 3.12Å; A524-F527 HydrophobicContact CB-CD2 3.9Å; A524-F527 HydrophobicContact CB-CE2 4.41Å; A524-F527 PolarHBondContact O-N 3.24Å; F527-V539 HydrophobicContact CB-CG1 3.74Å; F527-V539 HydrophobicContact CD1-CG1 4.31Å; F527-V539 HydrophobicContact CG-CG1 4.04Å; F527-T540 WeakPolarHBondContact CA-O 3.4Å; F527-Q541 HydrophobicContact CD1-CB 4.05Å; F527-Q541 HydrophobicContact CD1-CG 4.26Å; F527-Q541 HydrophobicContact CE1-CB 4.01Å; F527-Q541 HydrophobicContact CE1-CG 4.12Å
528H84.3Confident81.1Confident101 Ų10156 Ų5647%0.46833%0.334SS..EExtended strand (participates in β ladder)trans-131.7140.5-179.4-67.263.7000109.5A525 T540A525-H528 PolarHBondContact O-CE1 3.46Å; H528-T540 PolarHBondContact N-O 3.35Å; H528-T540 PolarHBondContact O-N 3.15Å; H528-T540 PolarHBondContact O-OG1 2.89Å
529F88.3Confident81.8Confident26 Ų2650 Ų5011%0.11431%0.306CS..EExtended strand (participates in β ladder)trans-75.4136.5173.8-72.3-59.1000110.9L440 V471 L475 F478 V523 V537 S538 V539L440-F529 HydrophobicContact CD2-CD1 4.25Å; L440-F529 HydrophobicContact CD2-CE1 3.77Å; V471-F529 HydrophobicContact CG1-CZ 4.2Å; L475-F529 HydrophobicContact CB-CE2 3.98Å; L475-F529 HydrophobicContact CB-CZ 3.88Å; L475-F529 HydrophobicContact CD1-CD1 4.12Å; L475-F529 HydrophobicContact CD1-CE1 4Å; L475-F529 HydrophobicContact CD1-CE2 4.47Å; L475-F529 HydrophobicContact CD1-CG 4.42Å; L475-F529 HydrophobicContact CD1-CZ 4.2Å; F478-F529 HydrophobicContact CB-CB 4.34Å; F478-F529 HydrophobicContact CB-CD2 4.35Å; F478-F529 HydrophobicContact CD1-CB 3.95Å; F478-F529 HydrophobicContact CD2-CB 3.82Å; F478-F529 HydrophobicContact CE1-CB 4.22Å; F478-F529 HydrophobicContact CE2-CB 4.09Å; F478-F529 VanDerWaalsContact CE2-O 3.27Å; F478-F529 WeakPolarHBondContact CE2-O 3.39Å; F478-F529 HydrophobicContact CG-CB 3.75Å; F478-F529 HydrophobicContact CG-CG 4.5Å; F478-F529 HydrophobicContact CZ-CB 4.29Å; V523-F529 HydrophobicContact CG2-CE2 3.85Å; V523-F529 HydrophobicContact CG2-CZ 4.02Å; F529-V537 HydrophobicContact CB-CG1 3.82Å; F529-V537 HydrophobicContact CD1-CG1 3.59Å; F529-V537 HydrophobicContact CE1-CG1 4.49Å; F529-V537 HydrophobicContact CG-CG1 4Å; F529-S538 WeakPolarHBondContact CA-O 3.35Å; F529-V539 HydrophobicContact CD1-CG2 3.72Å; F529-V539 HydrophobicContact CE1-CG2 3.58Å
530T87.4Confident82.4Confident48 Ų4845.9 Ų45.929%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-128.2142.7178.141.60000110.3G532 V537 S538 T540T530-G532 PolarHBondContact O-N 3.03Å; T530-V537 WeakPolarHBondContact O-CA 3.49Å; T530-V537 WeakPolarHBondContact O-CG1 3.49Å; T530-S538 PolarHBondContact N-O 3.45Å; T530-S538 PolarHBondContact O-N 2.69Å; T530-S538 PolarHBondContact O-OG 3.48Å; T530-S538 PolarHBondContact OG1-O 2.97Å; T530-S538 PolarHBondContact OG1-OG 2.84Å; T530-T540 HydrophobicContact CG2-CG2 4.22Å; T530-T540 WeakPolarHBondContact CG2-OG1 3.47Å
531A86.8Confident82.8Confident71 Ų7141.8 Ų41.859%0.58728%0.28SS*.EExtended strand (participates in β ladder)trans-66.5133.2-179.700000110.6F478F478-A531 HydrophobicContact CZ-CB 4.45Å
532G82.3Confident82.3Confident17 Ų1741.3 Ų41.318%0.17528%0.281CS..  trans-80.1164.8-18000000114.1E437 T530 G535 G536E437-G532 VanDerWaalsContact OE1-CA 3.29Å; E437-G532 WeakPolarHBondContact OE1-CA 3.46Å; E437-G532 WeakPolarHBondContact OE2-CA 3.46Å; T530-G532 PolarHBondContact O-N 3.03Å; G532-G535 PolarHBondContact O-N 2.85Å; G532-G536 PolarHBondContact N-O 3.48Å
533G80.3Confident80.8Confident77 Ų7747.4 Ų47.479%0.79431%0.306SS*.THydrogen-bonded Turntrans-74.9-31.6179.600000113.6E437 G535E437-G533 PolarHBondContact OE1-N 2.97Å; E437-G533 PolarHBondContact OE2-N 3.23Å; G533-G535 VanDerWaalsContact C-N 3.32Å
534D79.8Confident78.9Confident152 Ų15250.8 Ų50.881%0.81333%0.33SS*.THydrogen-bonded Turntrans-94.512.4175.6-69.9-33.9000111.7E437 G536E437-D534 WeakPolarHBondContact OE1-CA 3.44Å; E437-D534 PolarHBondContact OE1-N 2.82Å; D534-G536 VanDerWaalsContact C-N 3.33Å
535G80.9Confident76.6Confident24 Ų2455.6 Ų55.625%0.24736%0.362CS..SBendtrans77.114.8-178.200000114.3E437 S484 H485 G532 G533E437-G535 PolarHBondContact OE1-N 2.77Å; S484-G535 VanDerWaalsContact CA-O 3.22Å; S484-G535 WeakPolarHBondContact CA-O 3.45Å; S484-G535 WeakPolarHBondContact CB-O 3.25Å; S484-G535 PolarHBondContact OG-O 3.44Å; H485-G535 PolarHBondContact N-O 3.14Å; H485-G535 PolarHBondContact ND1-O 3.34Å; G532-G535 PolarHBondContact O-N 2.85Å; G533-G535 VanDerWaalsContact C-N 3.32Å
536G86.8Confident74.8Confident1 Ų161.4 Ų61.41%0.0136%0.364CS..  trans-80.6-155.5162.700000111.3E437 H485 G532 D534E437-G536 WeakPolarHBondContact OE1-CA 3.23Å; E437-G536 PolarHBondContact OE1-N 2.92Å; H485-G536 PolarHBondContact CE1-N 2.74Å; G532-G536 PolarHBondContact N-O 3.48Å; D534-G536 VanDerWaalsContact C-N 3.33Å
537V88.9Confident73.2Confident0 Ų071.8 Ų71.80%040%0.396CS..EExtended strand (participates in β ladder)trans-138.8135.6178.6-177.90000109E437 L440 L475 F478 T479 L486 F529 T530E437-V537 WeakPolarHBondContact CA-O 3.23Å; L440-V537 HydrophobicContact CD2-CB 4.24Å; L440-V537 HydrophobicContact CD2-CG1 4.31Å; L440-V537 WeakPolarHBondContact CD2-O 3.23Å; L475-V537 HydrophobicContact CD1-CB 3.82Å; L475-V537 HydrophobicContact CD1-CG1 3.7Å; L475-V537 HydrophobicContact CD1-CG2 3.84Å; F478-V537 HydrophobicContact CD1-CG1 3.86Å; F478-V537 HydrophobicContact CD1-CG2 3.92Å; F478-V537 HydrophobicContact CE1-CB 4.43Å; F478-V537 HydrophobicContact CE1-CG1 3.74Å; F478-V537 HydrophobicContact CE1-CG2 3.84Å; T479-V537 HydrophobicContact CG2-CG2 4.15Å; L486-V537 HydrophobicContact CD1-CB 4.32Å; L486-V537 HydrophobicContact CD1-CG2 4.22Å; F529-V537 HydrophobicContact CB-CG1 3.82Å; F529-V537 HydrophobicContact CD1-CG1 3.59Å; F529-V537 HydrophobicContact CE1-CG1 4.49Å; F529-V537 HydrophobicContact CG-CG1 4Å; T530-V537 WeakPolarHBondContact O-CA 3.49Å; T530-V537 WeakPolarHBondContact O-CG1 3.49Å
538S88.3Confident71.5Confident17 Ų1774.1 Ų74.112%0.11941%0.414CS..EExtended strand (participates in β ladder)trans-110164.3172.554.80000110.8F529 T530F529-S538 WeakPolarHBondContact CA-O 3.35Å; T530-S538 PolarHBondContact N-O 3.45Å; T530-S538 PolarHBondContact O-N 2.69Å; T530-S538 PolarHBondContact O-OG 3.48Å; T530-S538 PolarHBondContact OG1-O 2.97Å; T530-S538 PolarHBondContact OG1-OG 2.84Å
539V87.6Confident70.2Confident0 Ų075.3 Ų75.30%042%0.424CS..EExtended strand (participates in β ladder)trans-114.7120.5174.6-176.30000108.8V433 A434 V435 L440 F527 F529V433-V539 CarbonylContact C-O 3.57Å; V433-V539 WeakPolarHBondContact CA-O 3.17Å; A434-V539 HydrophobicContact CB-CG1 4.22Å; A434-V539 PolarHBondContact N-O 3.13Å; V435-V539 HydrophobicContact CB-CB 3.98Å; V435-V539 HydrophobicContact CB-CG2 3.95Å; V435-V539 HydrophobicContact CG2-CB 4.23Å; V435-V539 HydrophobicContact CG2-CG2 4.22Å; V435-V539 PolarHBondContact N-O 3.44Å; V435-V539 PolarHBondContact O-N 3.3Å; L440-V539 HydrophobicContact CD2-CG2 4.3Å; F527-V539 HydrophobicContact CB-CG1 3.74Å; F527-V539 HydrophobicContact CD1-CG1 4.31Å; F527-V539 HydrophobicContact CG-CG1 4.04Å; F529-V539 HydrophobicContact CD1-CG2 3.72Å; F529-V539 HydrophobicContact CE1-CG2 3.58Å
540T84.9Confident68.9Low13 Ų1382.3 Ų82.38%0.0846%0.457CS..EExtended strand (participates in β ladder)trans-108.5144.4174.151.20000111.5L431 V433 F527 H528 T530L431-T540 HydrophobicContact CB-CG2 4.11Å; L431-T540 HydrophobicContact CD2-CG2 4.33Å; V433-T540 HydrophobicContact CG2-CG2 4.21Å; F527-T540 WeakPolarHBondContact CA-O 3.4Å; H528-T540 PolarHBondContact N-O 3.35Å; H528-T540 PolarHBondContact O-N 3.15Å; H528-T540 PolarHBondContact O-OG1 2.89Å; T530-T540 HydrophobicContact CG2-CG2 4.22Å; T530-T540 WeakPolarHBondContact CG2-OG1 3.47Å
541Q80.6Confident67.8Low60 Ų6086.4 Ų86.428%0.2848%0.477SS..EExtended strand (participates in β ladder)trans-79.9120.5168-169.2170.2-2.300110.1H432 A526 F527H432-Q541 PolarHBondContact O-N 3.4Å; A526-Q541 HydrophobicContact CB-CG 4.47Å; A526-Q541 CarbonylContact O-C 3.58Å; A526-Q541 WeakPolarHBondContact O-CA 3.48Å; F527-Q541 HydrophobicContact CD1-CB 4.05Å; F527-Q541 HydrophobicContact CD1-CG 4.26Å; F527-Q541 HydrophobicContact CE1-CB 4.01Å; F527-Q541 HydrophobicContact CE1-CG 4.12Å
542S65.4Low66.7Low48 Ų4887.8 Ų87.834%0.33647%0.472SS..PPolyproline II helixtrans-83.5121.8171.3-1730000109.1A526A526-S542 PolarHBondContact O-N 2.96Å
543F52.2Low66Low147 Ų14790.8 Ų90.865%0.64548%0.481SS*.PPolyproline II helixtrans-89.9119.8162.1-71.5-84.6000107.5C545F543-C545 PolarHBondContact O-N 2.93Å
544C40.4Very low65.6Low99 Ų9991.8 Ų91.867%0.66947%0.468SS*.  trans-59.2105.2-177.5-59.50000111.1Y546C544-Y546 VanDerWaalsContact O-CD2 3.3Å; C544-Y546 WeakPolarHBondContact O-CD2 3.37Å; C544-Y546 PolarHBondContact O-N 3.12Å
545C31.9Very low65.2Low120 Ų12092.2 Ų92.281%0.81146%0.459SS*.  trans-66.6101.2167.8-70.10000108.5F543 R547F543-C545 PolarHBondContact O-N 2.93Å; C545-R547 PolarHBondContact O-N 3.37Å
546Y37.8Very low64.9Low221 Ų22195.9 Ų95.987%0.86747%0.468SS*.SBendtrans-62.779.8177.3-67.4-90.3000111.8C544C544-Y546 VanDerWaalsContact O-CD2 3.3Å; C544-Y546 WeakPolarHBondContact O-CD2 3.37Å; C544-Y546 PolarHBondContact O-N 3.12Å
547R40.2Very low64.3Low250 Ų250101.1 Ų101.194%0.94349%0.491SS*.  trans174.465.6167.3-94.1150-170.1-1424.2109.9C545C545-R547 PolarHBondContact O-N 3.37Å
548S47.4Very low63.8Low64 Ų64105.7 Ų105.745%0.44852%0.515SS..  trans-112.5142.2152-175.70000106.8
549D55.5Low63.4Low126 Ų126107.3 Ų107.367%0.67453%0.526SS*.  trans-67.3145.6168.1-61-49.8000109.2D551 E552 E553D549-D551 VanDerWaalsContact C-N 3.33Å; D549-D551 PolarHBondContact O-N 3.35Å; D549-E552 HydrophobicContact CB-CB 4.48Å; D549-E552 PolarHBondContact O-N 2.84Å; D549-E553 PolarHBondContact O-N 3.17Å
550E62.3Low63.1Low174 Ų174108.7 Ų108.781%0.81354%0.54SS*.Hα-helixtrans-67-35.3-170.5-62.2-178.6160.100111.7E553 L554E550-E553 PolarHBondContact O-N 3.46Å; E550-L554 WeakPolarHBondContact O-CB 3.48Å; E550-L554 PolarHBondContact O-N 3.2Å
551D63.7Low63Low133 Ų133110.5 Ų110.571%0.71155%0.548SS*.Hα-helixtrans-65.3-39.2175.2-62.4-46.6000112.8D549 E553 L554 Y555D549-D551 VanDerWaalsContact C-N 3.33Å; D549-D551 PolarHBondContact O-N 3.35Å; D551-E553 VanDerWaalsContact C-N 3.32Å; D551-L554 PolarHBondContact O-N 3.12Å; D551-Y555 WeakPolarHBondContact O-CB 3.26Å; D551-Y555 PolarHBondContact O-N 2.82Å
552E64.6Low63.3Low101 Ų101111.8 Ų111.847%0.47255%0.554SS.*Hα-helixtrans-68.3-32.6177.6-97.2-76.1144.100111.7D549 K556D549-E552 HydrophobicContact CB-CB 4.48Å; D549-E552 PolarHBondContact O-N 2.84Å; E552-K556 WeakPolarHBondContact O-CD 3.44Å; E552-K556 WeakPolarHBondContact O-CG 3.05Å; E552-K556 PolarHBondContact O-N 3.48Å; E552-K556 PolarHBondContact O-NZ 3.11Å; E552-K556 IonicContact OE2-NZ 3.22Å; E552-K556 PolarHBondContact OE2-NZ 3.34Å
553E67Low64.4Low79 Ų79112.5 Ų112.537%0.36955%0.549SS..Hα-helixtrans-75.9-36.8174178.266-173.600111.3D549 E550 D551 K557D549-E553 PolarHBondContact O-N 3.17Å; E550-E553 PolarHBondContact O-N 3.46Å; D551-E553 VanDerWaalsContact C-N 3.32Å; E553-K557 VanDerWaalsContact CG-NZ 3.3Å; E553-K557 WeakPolarHBondContact O-CD 3.42Å; E553-K557 WeakPolarHBondContact O-CG 3.38Å; E553-K557 PolarHBondContact O-N 3.13Å; E553-K557 WeakPolarHBondContact OE1-CE 3.48Å; E553-K557 IonicContact OE1-NZ 3.13Å; E553-K557 PolarHBondContact OE1-NZ 3.14Å
554L71Confident66.2Low99 Ų99106.6 Ų106.652%0.51852%0.523SS..Hα-helixtrans-65.3-45.7173.5-165.780.7000111.6E550 D551 K556 K557 L558E550-L554 WeakPolarHBondContact O-CB 3.48Å; E550-L554 PolarHBondContact O-N 3.2Å; D551-L554 PolarHBondContact O-N 3.12Å; L554-K556 PolarHBondContact O-N 3.23Å; L554-K557 WeakPolarHBondContact O-CB 3.46Å; L554-K557 PolarHBondContact O-N 2.9Å; L554-L558 HydrophobicContact CD2-CD1 4.36Å; L554-L558 HydrophobicContact CG-CD1 4.18Å; L554-L558 WeakPolarHBondContact O-CG 3.5Å; L554-L558 PolarHBondContact O-N 3.09Å
555Y72.1Confident68.5Low161 Ų161102.1 Ų102.163%0.63149%0.492SS*.Hα-helixtrans-63.8-41179.9-176-99.1000112.4D551 K557 L558 S559D551-Y555 WeakPolarHBondContact O-CB 3.26Å; D551-Y555 PolarHBondContact O-N 2.82Å; Y555-K557 VanDerWaalsContact C-N 3.31Å; Y555-K557 PolarHBondContact O-N 3.08Å; Y555-L558 PolarHBondContact O-N 3.03Å; Y555-S559 WeakPolarHBondContact O-CB 3.18Å; Y555-S559 PolarHBondContact O-N 3.4Å; Y555-S559 PolarHBondContact O-OG 3.05Å
556K74.4Confident71.3Confident100 Ų10099.1 Ų99.144%0.43547%0.466SS..Hα-helixtrans-61.3-38173.4-74175-166.489.50112.4E552 L554 S559 G560E552-K556 WeakPolarHBondContact O-CD 3.44Å; E552-K556 WeakPolarHBondContact O-CG 3.05Å; E552-K556 PolarHBondContact O-N 3.48Å; E552-K556 PolarHBondContact O-NZ 3.11Å; E552-K556 IonicContact OE2-NZ 3.22Å; E552-K556 PolarHBondContact OE2-NZ 3.34Å; L554-K556 PolarHBondContact O-N 3.23Å; K556-S559 PolarHBondContact O-OG 2.91Å; K556-G560 PolarHBondContact O-N 3.02Å
557K74.3Confident73.9Confident111 Ų11188.6 Ų88.648%0.48343%0.425SS..Hα-helixtrans-66-54.5174.4-74.6164.5-176.1159.40111.2E553 L554 Y555 S559 G560 E561E553-K557 VanDerWaalsContact CG-NZ 3.3Å; E553-K557 WeakPolarHBondContact O-CD 3.42Å; E553-K557 WeakPolarHBondContact O-CG 3.38Å; E553-K557 PolarHBondContact O-N 3.13Å; E553-K557 WeakPolarHBondContact OE1-CE 3.48Å; E553-K557 IonicContact OE1-NZ 3.13Å; E553-K557 PolarHBondContact OE1-NZ 3.14Å; L554-K557 WeakPolarHBondContact O-CB 3.46Å; L554-K557 PolarHBondContact O-N 2.9Å; Y555-K557 VanDerWaalsContact C-N 3.31Å; Y555-K557 PolarHBondContact O-N 3.08Å; K557-S559 PolarHBondContact O-N 3.13Å; K557-G560 WeakPolarHBondContact O-CA 3.46Å; K557-G560 PolarHBondContact O-N 3.24Å; K557-G560 VanDerWaalsContact O-N 3.1Å; K557-E561 WeakPolarHBondContact O-CG 3.27Å; K557-E561 PolarHBondContact O-N 3.29Å
558L77.3Confident76.5Confident96 Ų9676.8 Ų76.850%0.50338%0.38SS..Hα-helixtrans-58.5-43.6-178-68.9170.1000112.9L554 Y555 E561 Q562L554-L558 HydrophobicContact CD2-CD1 4.36Å; L554-L558 HydrophobicContact CG-CD1 4.18Å; L554-L558 WeakPolarHBondContact O-CG 3.5Å; L554-L558 PolarHBondContact O-N 3.09Å; Y555-L558 PolarHBondContact O-N 3.03Å; L558-E561 PolarHBondContact O-N 2.98Å; L558-Q562 PolarHBondContact O-N 2.75Å
559S80.4Confident78.5Confident52 Ų5273.9 Ų73.936%0.36436%0.36SS..Hα-helixtrans-68.5-36.2175.3540000113Y555 K556 K557 W563Y555-S559 WeakPolarHBondContact O-CB 3.18Å; Y555-S559 PolarHBondContact O-N 3.4Å; Y555-S559 PolarHBondContact O-OG 3.05Å; K556-S559 PolarHBondContact O-OG 2.91Å; K557-S559 PolarHBondContact O-N 3.13Å; S559-W563 WeakPolarHBondContact O-CB 3.42Å; S559-W563 PolarHBondContact O-N 2.96Å
560G82.2Confident80.2Confident29 Ų2971.2 Ų71.230%0.29934%0.343SS..Hα-helixtrans-63.5-38.3172.200000113.6K556 K557 R564K556-G560 PolarHBondContact O-N 3.02Å; K557-G560 WeakPolarHBondContact O-CA 3.46Å; K557-G560 PolarHBondContact O-N 3.24Å; K557-G560 VanDerWaalsContact O-N 3.1Å; G560-R564 WeakPolarHBondContact O-CG 3.48Å; G560-R564 PolarHBondContact O-N 3.22Å; G560-R564 VanDerWaalsContact O-N 3.1Å
561E82.4Confident81.6Confident50 Ų5063 Ų6323%0.23431%0.305CS..Hα-helixtrans-71.2-42175.6-63.4-47.5151.100112.8R519 K557 L558 W563 R564 L565R519-E561 IonicContact CZ-OE1 3.28Å; R519-E561 IonicContact CZ-OE2 2.77Å; R519-E561 VanDerWaalsContact NH1-CD 3.33Å; R519-E561 IonicContact NH1-OE1 3.89Å; R519-E561 PolarHBondContact NH1-OE1 3.33Å; R519-E561 IonicContact NH1-OE2 2.62Å; R519-E561 PolarHBondContact NH1-OE2 2.86Å; R519-E561 IonicContact NH2-OE1 3.66Å; R519-E561 PolarHBondContact NH2-OE1 3.49Å; R519-E561 IonicContact NH2-OE2 3.81Å; R519-E561 PolarHBondContact NH2-OE2 3.14Å; K557-E561 WeakPolarHBondContact O-CG 3.27Å; K557-E561 PolarHBondContact O-N 3.29Å; L558-E561 PolarHBondContact O-N 2.98Å; E561-W563 VanDerWaalsContact C-N 3.3Å; E561-W563 PolarHBondContact O-N 3.5Å; E561-R564 WeakPolarHBondContact O-CB 3.42Å; E561-R564 PolarHBondContact O-N 2.81Å; E561-R564 WeakPolarHBondContact OE2-CD 3.42Å; E561-R564 IonicContact OE2-NE 2.74Å; E561-R564 PolarHBondContact OE2-NE 2.8Å; E561-L565 PolarHBondContact O-N 2.89Å
562Q85.9Confident82.9Confident88 Ų8856.7 Ų56.741%0.41127%0.271SS..Hα-helixtrans-57.7-45.7172.6-173.9175.6-38.700111.1L558 R564 L565 E566L558-Q562 PolarHBondContact O-N 2.75Å; Q562-R564 VanDerWaalsContact C-N 3.31Å; Q562-R564 PolarHBondContact O-N 2.94Å; Q562-L565 WeakPolarHBondContact O-CB 3.46Å; Q562-L565 PolarHBondContact O-N 3.26Å; Q562-L565 VanDerWaalsContact O-N 3.13Å; Q562-E566 WeakPolarHBondContact CG-OE1 3.5Å; Q562-E566 PolarHBondContact NE2-OE1 3.06Å; Q562-E566 WeakPolarHBondContact O-CG 3.34Å; Q562-E566 PolarHBondContact O-N 3.11Å
563W88.8Confident84.1Confident63 Ų6353.3 Ų53.324%0.23926%0.261CS..Hα-helixtrans-61.7-35.9177.4178-109.6000113.4C477 K480 Q481 S559 E561 C567C477-W563 PolarHBondContact O-NE1 3.35Å; K480-W563 HydrophobicContact CB-CH2 4.35Å; K480-W563 HydrophobicContact CB-CZ2 3.58Å; Q481-W563 HydrophobicContact CG-CD2 4.38Å; Q481-W563 VanDerWaalsContact CG-CE2 3.44Å; Q481-W563 HydrophobicContact CG-CH2 4.44Å; Q481-W563 HydrophobicContact CG-CZ2 3.46Å; Q481-W563 VanDerWaalsContact CG-CZ2 3.46Å; S559-W563 WeakPolarHBondContact O-CB 3.42Å; S559-W563 PolarHBondContact O-N 2.96Å; E561-W563 VanDerWaalsContact C-N 3.3Å; E561-W563 PolarHBondContact O-N 3.5Å; W563-C567 VanDerWaalsContact CE2-SG 3.55Å; W563-C567 WeakPolarHBondContact O-CB 3.42Å; W563-C567 PolarHBondContact O-N 2.93Å; W563-C567 PolarHBondContact O-SG 3.39Å
564R89.9Confident85.2Confident23 Ų2352.5 Ų52.59%0.08726%0.257CS..Hα-helixtrans-63.7-45.2172.5-74.3166.164.399.1-9.2111F473 D522 G560 E561 Q562 C567 L568F473-R564 HydrophobicContact CE1-CB 4.24Å; F473-R564 HydrophobicContact CE1-CG 4.45Å; F473-R564 HydrophobicContact CZ-CB 4.48Å; F473-R564 WeakPolarHBondContact CZ-O 3.36Å; D522-R564 IonicContact OD2-CZ 2.96Å; D522-R564 IonicContact OD2-NH1 3.2Å; D522-R564 PolarHBondContact OD2-NH1 2.84Å; D522-R564 IonicContact OD2-NH2 2.71Å; D522-R564 PolarHBondContact OD2-NH2 2.9Å; G560-R564 WeakPolarHBondContact O-CG 3.48Å; G560-R564 PolarHBondContact O-N 3.22Å; G560-R564 VanDerWaalsContact O-N 3.1Å; E561-R564 WeakPolarHBondContact O-CB 3.42Å; E561-R564 PolarHBondContact O-N 2.81Å; E561-R564 WeakPolarHBondContact OE2-CD 3.42Å; E561-R564 IonicContact OE2-NE 2.74Å; E561-R564 PolarHBondContact OE2-NE 2.8Å; Q562-R564 VanDerWaalsContact C-N 3.31Å; Q562-R564 PolarHBondContact O-N 2.94Å; R564-C567 PolarHBondContact O-N 3.28Å; R564-L568 WeakPolarHBondContact O-CB 3.37Å; R564-L568 PolarHBondContact O-N 3Å
565L89.9Confident85.9Confident5 Ų548.1 Ų48.13%0.02623%0.234CC..Hα-helixtrans-61.7-45.8176.8-72.3164.7000111.7E561 Q562 C567 L568 V569 Q638 A639E561-L565 PolarHBondContact O-N 2.89Å; Q562-L565 WeakPolarHBondContact O-CB 3.46Å; Q562-L565 PolarHBondContact O-N 3.26Å; Q562-L565 VanDerWaalsContact O-N 3.13Å; L565-C567 VanDerWaalsContact C-N 3.34Å; L565-C567 PolarHBondContact O-N 3.16Å; L565-L568 WeakPolarHBondContact O-CB 3.48Å; L565-L568 PolarHBondContact O-N 3.28Å; L565-L568 VanDerWaalsContact O-N 3.16Å; L565-V569 WeakPolarHBondContact O-CG2 3.35Å; L565-V569 PolarHBondContact O-N 3.02Å; L565-Q638 HydrophobicContact CD1-CB 4.16Å; L565-Q638 HydrophobicContact CD1-CG 3.77Å; L565-A639 HydrophobicContact CD2-CB 3.94Å
566E90.8Very high86.1Confident56 Ų5644.2 Ų44.226%0.26223%0.227SC..Hα-helixtrans-58.6-43.6173.8-70.9172.3-16100111.9Q562 L568 V569 Q570 V642Q562-E566 WeakPolarHBondContact CG-OE1 3.5Å; Q562-E566 PolarHBondContact NE2-OE1 3.06Å; Q562-E566 WeakPolarHBondContact O-CG 3.34Å; Q562-E566 PolarHBondContact O-N 3.11Å; E566-L568 PolarHBondContact O-N 3.11Å; E566-V569 PolarHBondContact O-N 3.33Å; E566-Q570 WeakPolarHBondContact O-CB 3.39Å; E566-Q570 VanDerWaalsContact O-CG 3.24Å; E566-Q570 WeakPolarHBondContact O-CG 3.43Å; E566-Q570 PolarHBondContact O-N 3.18Å; E566-V642 HydrophobicContact CG-CG1 4.13Å
567C92.2Very high86.2Confident0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-65.5-35.8175.5-73.50000113.1F476 C477 W563 R564 L565 L571F476-C567 HydrophobicContact CD1-CB 4.4Å; F476-C567 HydrophobicContact CE1-CB 4.14Å; C477-C567 HydrophobicContact CB-CB 4.48Å; C477-C567 WeakPolarHBondContact SG-CB 3.43Å; W563-C567 VanDerWaalsContact CE2-SG 3.55Å; W563-C567 WeakPolarHBondContact O-CB 3.42Å; W563-C567 PolarHBondContact O-N 2.93Å; W563-C567 PolarHBondContact O-SG 3.39Å; R564-C567 PolarHBondContact O-N 3.28Å; L565-C567 VanDerWaalsContact C-N 3.34Å; L565-C567 PolarHBondContact O-N 3.16Å; C567-L571 WeakPolarHBondContact O-CG 3.41Å; C567-L571 PolarHBondContact O-N 2.97Å
568L93.4Very high86.7Confident2 Ų242.6 Ų42.61%0.0123%0.231CC..Hα-helixtrans-66.5-46.7176.5-172.563.3000111.2F473 L510 L513 R564 L565 E566 Q570 L571 L572F473-L568 HydrophobicContact CE2-CB 4.17Å; F473-L568 HydrophobicContact CE2-CD1 4.01Å; F473-L568 HydrophobicContact CZ-CB 3.89Å; F473-L568 HydrophobicContact CZ-CD1 4.17Å; L510-L568 HydrophobicContact CD2-CD1 3.83Å; L510-L568 HydrophobicContact CD2-CG 4.46Å; L513-L568 HydrophobicContact CB-CD1 3.9Å; L513-L568 HydrophobicContact CB-CD2 4.28Å; L513-L568 HydrophobicContact CD1-CD1 4.01Å; R564-L568 WeakPolarHBondContact O-CB 3.37Å; R564-L568 PolarHBondContact O-N 3Å; L565-L568 WeakPolarHBondContact O-CB 3.48Å; L565-L568 PolarHBondContact O-N 3.28Å; L565-L568 VanDerWaalsContact O-N 3.16Å; E566-L568 PolarHBondContact O-N 3.11Å; L568-Q570 VanDerWaalsContact C-N 3.34Å; L568-Q570 PolarHBondContact O-N 3.06Å; L568-L571 WeakPolarHBondContact O-CB 3.39Å; L568-L571 PolarHBondContact O-N 3.42Å; L568-L572 PolarHBondContact O-N 3.04Å; L568-L572 VanDerWaalsContact O-N 3.07Å
569V91.2Very high87.1Confident4 Ų439.8 Ų39.82%0.02422%0.217CC..Hα-helixtrans-68.9-34.1179.7-178.60000111.2L565 E566 L571 L572 A573 V642 M643 L647L565-V569 WeakPolarHBondContact O-CG2 3.35Å; L565-V569 PolarHBondContact O-N 3.02Å; E566-V569 PolarHBondContact O-N 3.33Å; V569-L571 PolarHBondContact O-N 2.95Å; V569-L572 PolarHBondContact O-N 3.06Å; V569-A573 WeakPolarHBondContact O-CB 3.38Å; V569-A573 PolarHBondContact O-N 2.82Å; V569-V642 HydrophobicContact CB-CG1 4.2Å; V569-V642 HydrophobicContact CG2-CG1 3.94Å; V569-M643 HydrophobicContact CG1-CG 4.45Å; V569-M643 HydrophobicContact CG2-CG 3.63Å; V569-L647 HydrophobicContact CG1-CD1 3.93Å; V569-L647 HydrophobicContact CG1-CD2 3.78Å; V569-L647 HydrophobicContact CG1-CG 3.57Å
570Q90.9Very high87.6Confident69 Ų6937.6 Ų37.632%0.32220%0.201SC..Hα-helixtrans-63.2-22.2169.1-75.8175.838.500114.4E566 L568 Q574E566-Q570 WeakPolarHBondContact O-CB 3.39Å; E566-Q570 VanDerWaalsContact O-CG 3.24Å; E566-Q570 WeakPolarHBondContact O-CG 3.43Å; E566-Q570 PolarHBondContact O-N 3.18Å; L568-Q570 VanDerWaalsContact C-N 3.34Å; L568-Q570 PolarHBondContact O-N 3.06Å; Q570-Q574 WeakPolarHBondContact O-CG 3.45Å; Q570-Q574 PolarHBondContact O-NE2 2.9Å
571L92.3Very high87.9Confident1 Ų136.5 Ų36.51%0.00519%0.189CC..Hα-helixtrans-80.4-43170-71.2164000110.9F473 F476 Q491 L494 L495 C567 L568 V569 A573 Q574F473-L571 HydrophobicContact CD2-CD1 4.04Å; F473-L571 HydrophobicContact CE2-CD1 3.96Å; F476-L571 HydrophobicContact CD1-CD1 3.9Å; F476-L571 HydrophobicContact CD1-CD2 4.49Å; F476-L571 HydrophobicContact CD1-CG 4.33Å; F476-L571 HydrophobicContact CE1-CD1 3.65Å; F476-L571 HydrophobicContact CE1-CD2 3.81Å; F476-L571 HydrophobicContact CE1-CG 3.6Å; F476-L571 HydrophobicContact CE2-CD2 4.28Å; F476-L571 HydrophobicContact CZ-CD1 4.37Å; F476-L571 HydrophobicContact CZ-CD2 3.65Å; F476-L571 HydrophobicContact CZ-CG 3.92Å; Q491-L571 HydrophobicContact CG-CD2 3.9Å; L494-L571 HydrophobicContact CB-CD1 4.4Å; L494-L571 HydrophobicContact CB-CD2 4.46Å; L494-L571 HydrophobicContact CD1-CD1 3.92Å; L495-L571 HydrophobicContact CD2-CD2 4.43Å; L495-L571 HydrophobicContact CG-CD2 4.4Å; C567-L571 WeakPolarHBondContact O-CG 3.41Å; C567-L571 PolarHBondContact O-N 2.97Å; L568-L571 WeakPolarHBondContact O-CB 3.39Å; L568-L571 PolarHBondContact O-N 3.42Å; V569-L571 PolarHBondContact O-N 2.95Å; L571-A573 VanDerWaalsContact C-N 3.3Å; L571-A573 PolarHBondContact O-N 3.2Å; L571-Q574 WeakPolarHBondContact O-CB 3.49Å; L571-Q574 PolarHBondContact O-N 3.3Å; L571-Q574 VanDerWaalsContact O-N 3.11Å
572L90.7Very high88.2Confident1 Ų134.1 Ų34.11%0.00518%0.178CC..Hα-helixtrans-59.4-39.9176.3-66.8178.7000112L510 L568 V569 Q574 L575 A581 F584 M643 L647L510-L572 HydrophobicContact CD1-CD2 3.93Å; L510-L572 HydrophobicContact CD2-CD2 3.95Å; L568-L572 PolarHBondContact O-N 3.04Å; L568-L572 VanDerWaalsContact O-N 3.07Å; V569-L572 PolarHBondContact O-N 3.06Å; L572-Q574 PolarHBondContact O-N 3.38Å; L572-L575 HydrophobicContact CD2-CD1 4.04Å; L572-L575 WeakPolarHBondContact O-CB 3.46Å; L572-L575 PolarHBondContact O-N 3.08Å; L572-A581 HydrophobicContact CB-CB 4.17Å; L572-F584 HydrophobicContact CD1-CD1 3.98Å; L572-F584 HydrophobicContact CD1-CE1 4.48Å; L572-M643 HydrophobicContact CD1-CE 4.12Å; L572-L647 HydrophobicContact CB-CD2 4.47Å
573A89.2Confident88.4Confident30 Ų3032.3 Ų32.325%0.24817%0.171CC..THydrogen-bonded Turntrans-58.3-18.8176.500000114.5V569 L571 L647 Q651V569-A573 WeakPolarHBondContact O-CB 3.38Å; V569-A573 PolarHBondContact O-N 2.82Å; L571-A573 VanDerWaalsContact C-N 3.3Å; L571-A573 PolarHBondContact O-N 3.2Å; A573-L647 HydrophobicContact CB-CD2 3.73Å; A573-Q651 PolarHBondContact O-NE2 3.38Å
574Q89.3Confident88.5Confident62 Ų6229.4 Ų29.429%0.2916%0.16SC..THydrogen-bonded Turntrans-96.5-1.3178.9-60173.344.900113.1L495 Q570 L571 L572 T576L495-Q574 HydrophobicContact CD1-CB 4.39Å; L495-Q574 HydrophobicContact CD2-CB 4.09Å; Q570-Q574 WeakPolarHBondContact O-CG 3.45Å; Q570-Q574 PolarHBondContact O-NE2 2.9Å; L571-Q574 WeakPolarHBondContact O-CB 3.49Å; L571-Q574 PolarHBondContact O-N 3.3Å; L571-Q574 VanDerWaalsContact O-N 3.11Å; L572-Q574 PolarHBondContact O-N 3.38Å; Q574-T576 PolarHBondContact O-N 3.45Å
575L85.6Confident88.6Confident7 Ų729 Ų294%0.03716%0.159CC..  trans-90.347.8176.4-62.5-179.6000111.4L495 L498 K499 L572 D577 S578 L580L495-L575 HydrophobicContact CD2-CD2 3.55Å; L495-L575 HydrophobicContact CD2-CG 4.04Å; L498-L575 HydrophobicContact CB-CD1 4.07Å; L498-L575 HydrophobicContact CD1-CD1 4.23Å; K499-L575 HydrophobicContact CD-CD2 4.22Å; K499-L575 VanDerWaalsContact CE-CD2 3.45Å; K499-L575 HydrophobicContact CG-CD2 3.73Å; L572-L575 HydrophobicContact CD2-CD1 4.04Å; L572-L575 WeakPolarHBondContact O-CB 3.46Å; L572-L575 PolarHBondContact O-N 3.08Å; L575-D577 PolarHBondContact O-N 3.36Å; L575-S578 PolarHBondContact O-N 3.07Å; L575-L580 HydrophobicContact CD1-CD2 4.09Å
576T77.1Confident88.6Confident79 Ų7929.2 Ų29.249%0.48516%0.16SC..THydrogen-bonded Turntrans-55.1-20.4-174.655.60000115.2Q574 R654Q574-T576 PolarHBondContact O-N 3.45Å; T576-R654 VanDerWaalsContact O-CZ 3.25Å; T576-R654 PolarHBondContact O-NH1 2.91Å; T576-R654 PolarHBondContact O-NH2 3.2Å; T576-R654 VanDerWaalsContact O-NH2 3.1Å
577D76.6Confident88.5Confident142 Ų14228.2 Ų28.276%0.75916%0.156SC*.THydrogen-bonded Turntrans-109.712.7179.5-63.9-47.7000113.8L575 R654L575-D577 PolarHBondContact O-N 3.36Å; D577-R654 IonicContact OD1-NH2 2.75Å
578S83.9Confident88.5Confident35 Ų3528.2 Ų28.225%0.24516%0.156CC..  trans-112.7155.5174.2-165.70000111.4L575 L580 R654L575-S578 PolarHBondContact O-N 3.07Å; S578-L580 VanDerWaalsContact OG-CB 3.3Å; S578-L580 WeakPolarHBondContact OG-CB 3.32Å; S578-L580 PolarHBondContact OG-N 3.3Å; S578-R654 PolarHBondContact O-NH1 3.09Å
579D87.3Confident88.2Confident38 Ų3828.8 Ų28.820%0.20316%0.16CC..SBendtrans-89-10.9168.9-53.4-73.3000112.1A581 G582 D583 K655 Q658D579-A581 VanDerWaalsContact C-N 3.27Å; D579-A581 PolarHBondContact O-N 2.76Å; D579-A581 VanDerWaalsContact O-N 3.1Å; D579-G582 PolarHBondContact O-N 3.21Å; D579-D583 PolarHBondContact O-N 2.88Å; D579-K655 VanDerWaalsContact OD1-CD 3.25Å; D579-K655 WeakPolarHBondContact OD1-CD 3.38Å; D579-K655 WeakPolarHBondContact OD1-CE 3.45Å; D579-K655 IonicContact OD1-NZ 3.09Å; D579-K655 PolarHBondContact OD1-NZ 2.93Å; D579-K655 VanDerWaalsContact OD1-NZ 3.09Å; D579-K655 IonicContact OD2-NZ 2.64Å; D579-K655 PolarHBondContact OD2-NZ 3.27Å; D579-Q658 PolarHBondContact O-NE2 2.95Å; D579-Q658 VanDerWaalsContact O-NE2 3.15Å
580L89.8Confident88Confident6 Ų633.3 Ų33.33%0.03118%0.18CC..Hα-helixtrans-55.8-32.7-167.5-177.767.1000114.5L498 T503 A506 L507 L510 L575 S578 F584L498-L580 HydrophobicContact CB-CD2 4.14Å; L498-L580 HydrophobicContact CD2-CD2 4.06Å; T503-L580 HydrophobicContact CG2-CD1 4.13Å; A506-L580 HydrophobicContact CB-CD1 3.77Å; A506-L580 HydrophobicContact CB-CD2 3.86Å; L507-L580 HydrophobicContact CD2-CD1 3.97Å; L507-L580 HydrophobicContact CG-CD1 4.05Å; L510-L580 HydrophobicContact CD1-CD1 4.11Å; L510-L580 HydrophobicContact CD1-CD2 4Å; L510-L580 HydrophobicContact CD1-CG 3.86Å; L575-L580 HydrophobicContact CD1-CD2 4.09Å; S578-L580 VanDerWaalsContact OG-CB 3.3Å; S578-L580 WeakPolarHBondContact OG-CB 3.32Å; S578-L580 PolarHBondContact OG-N 3.3Å; L580-F584 VanDerWaalsContact O-CB 3.25Å; L580-F584 WeakPolarHBondContact O-CB 3.2Å; L580-F584 PolarHBondContact O-N 2.98Å
581A89.5Confident87.7Confident5 Ų532.2 Ų32.24%0.04118%0.175CC..Hα-helixtrans-67.1-42177.200000111.9L572 D579 F585 M643 L647L572-A581 HydrophobicContact CB-CB 4.17Å; D579-A581 VanDerWaalsContact C-N 3.27Å; D579-A581 PolarHBondContact O-N 2.76Å; D579-A581 VanDerWaalsContact O-N 3.1Å; A581-F585 WeakPolarHBondContact O-CB 3.32Å; A581-F585 PolarHBondContact O-N 3.03Å; A581-F585 VanDerWaalsContact O-N 3.07Å; A581-M643 WeakPolarHBondContact O-CE 3.36Å; A581-L647 HydrophobicContact CB-CD1 4.46Å
582G88.3Confident87.4Confident0 Ų034 Ų340%019%0.185CC..Hα-helixtrans-70.5-41172.800000112.5D579 F584 F585 L586 L652D579-G582 PolarHBondContact O-N 3.21Å; G582-F584 VanDerWaalsContact C-N 3.33Å; G582-F584 PolarHBondContact O-N 3.45Å; G582-F585 WeakPolarHBondContact O-CB 3.22Å; G582-F585 PolarHBondContact O-N 3.47Å; G582-L586 WeakPolarHBondContact O-CB 3.41Å; G582-L586 VanDerWaalsContact O-CG 3.25Å; G582-L586 WeakPolarHBondContact O-CG 3.43Å; G582-L586 PolarHBondContact O-N 3.28Å; G582-L652 WeakPolarHBondContact CA-O 3.37Å
583D89.8Confident86.9Confident50 Ų5034.6 Ų34.627%0.26719%0.188SC..Hα-helixtrans-63.8-38.2177.6-65.9-8.8000111.6D579 L586 D587 Q658D579-D583 PolarHBondContact O-N 2.88Å; D583-L586 PolarHBondContact O-N 3.48Å; D583-D587 WeakPolarHBondContact O-CB 3.49Å; D583-D587 PolarHBondContact O-N 3.31Å; D583-Q658 PolarHBondContact OD1-NE2 3.45Å
584F91.9Very high86.4Confident3 Ų335.1 Ų35.11%0.01320%0.197CC..Hα-helixtrans-67.7-43.4173.1-176.4-125.6000111.9L507 L510 R511 L572 L580 G582 L586 D587 L588 M643L507-F584 VanDerWaalsContact CD2-CA 3.46Å; L507-F584 HydrophobicContact CD2-CB 3.65Å; L507-F584 HydrophobicContact CD2-CD2 3.97Å; L507-F584 HydrophobicContact CD2-CG 4.29Å; L510-F584 HydrophobicContact CB-CD1 4.38Å; L510-F584 HydrophobicContact CB-CD2 3.82Å; L510-F584 HydrophobicContact CB-CE1 4.25Å; L510-F584 HydrophobicContact CB-CE2 3.67Å; L510-F584 HydrophobicContact CB-CG 4.19Å; L510-F584 HydrophobicContact CB-CZ 3.9Å; L510-F584 HydrophobicContact CD1-CB 3.93Å; L510-F584 HydrophobicContact CD1-CD1 4.16Å; L510-F584 HydrophobicContact CD1-CD2 4.16Å; L510-F584 HydrophobicContact CD1-CG 3.83Å; R511-F584 HydrophobicContact CG-CE2 4.07Å; L572-F584 HydrophobicContact CD1-CD1 3.98Å; L572-F584 HydrophobicContact CD1-CE1 4.48Å; L580-F584 VanDerWaalsContact O-CB 3.25Å; L580-F584 WeakPolarHBondContact O-CB 3.2Å; L580-F584 PolarHBondContact O-N 2.98Å; G582-F584 VanDerWaalsContact C-N 3.33Å; G582-F584 PolarHBondContact O-N 3.45Å; F584-L586 VanDerWaalsContact C-N 3.29Å; F584-L586 PolarHBondContact O-N 2.89Å; F584-D587 WeakPolarHBondContact O-CB 3.16Å; F584-D587 PolarHBondContact O-N 2.68Å; F584-L588 HydrophobicContact CD2-CD2 4.32Å; F584-L588 HydrophobicContact CD2-CG 4.42Å; F584-L588 HydrophobicContact CE1-CD1 4.06Å; F584-L588 HydrophobicContact CE1-CG 4.48Å; F584-L588 HydrophobicContact CE2-CD1 4.47Å; F584-L588 HydrophobicContact CE2-CD2 3.74Å; F584-L588 HydrophobicContact CE2-CG 4.15Å; F584-L588 HydrophobicContact CZ-CD1 4Å; F584-L588 HydrophobicContact CZ-CD2 3.97Å; F584-L588 HydrophobicContact CZ-CG 4.18Å; F584-L588 WeakPolarHBondContact O-CG 3.25Å; F584-L588 PolarHBondContact O-N 3.48Å; F584-M643 HydrophobicContact CD1-CE 3.79Å; F584-M643 HydrophobicContact CD1-SD 3.65Å; F584-M643 HydrophobicContact CE1-SD 3.81Å
585F91.4Very high85.8Confident14 Ų1435 Ų356%0.06119%0.194CC..Hα-helixtrans-58.1-40.8174.6177.4-115.9000112.6A581 G582 L589 L640 M643 V644 L652 F662A581-F585 WeakPolarHBondContact O-CB 3.32Å; A581-F585 PolarHBondContact O-N 3.03Å; A581-F585 VanDerWaalsContact O-N 3.07Å; G582-F585 WeakPolarHBondContact O-CB 3.22Å; G582-F585 PolarHBondContact O-N 3.47Å; F585-L589 HydrophobicContact CD1-CD1 3.96Å; F585-L589 HydrophobicContact CE1-CD1 3.53Å; F585-L589 HydrophobicContact CE2-CD1 4.16Å; F585-L589 HydrophobicContact CE2-CG 4.39Å; F585-L589 HydrophobicContact CG-CD1 4.46Å; F585-L589 HydrophobicContact CZ-CD1 3.64Å; F585-L589 HydrophobicContact CZ-CG 4.34Å; F585-L589 WeakPolarHBondContact O-CG 3.46Å; F585-L589 PolarHBondContact O-N 3Å; F585-L640 HydrophobicContact CD2-CD2 3.78Å; F585-L640 HydrophobicContact CE2-CD2 3.8Å; F585-M643 HydrophobicContact CB-CE 3.76Å; F585-V644 HydrophobicContact CE2-CG2 3.63Å; F585-V644 HydrophobicContact CZ-CG2 4.02Å; F585-L652 HydrophobicContact CB-CD2 3.77Å; F585-L652 HydrophobicContact CD1-CD2 4.17Å; F585-L652 HydrophobicContact CD2-CD2 4.24Å; F585-L652 HydrophobicContact CG-CD2 3.83Å; F585-F662 AromaticContact CE1-CD2 3.89Å; F585-F662 HydrophobicContact CE1-CD2 3.89Å; F585-F662 HydrophobicContact CE1-CE2 4.05Å; F585-F662 HydrophobicContact CZ-CE2 4.29Å
586L89.1Confident85Confident10 Ų1036.1 Ų36.15%0.05220%0.204CC..Hα-helixtrans-68.5-39.7176.3-69.8170.8000112.8G582 D583 F584 L589 Q590 Q658 D661 F662G582-L586 WeakPolarHBondContact O-CB 3.41Å; G582-L586 VanDerWaalsContact O-CG 3.25Å; G582-L586 WeakPolarHBondContact O-CG 3.43Å; G582-L586 PolarHBondContact O-N 3.28Å; D583-L586 PolarHBondContact O-N 3.48Å; F584-L586 VanDerWaalsContact C-N 3.29Å; F584-L586 PolarHBondContact O-N 2.89Å; L586-L589 PolarHBondContact O-N 3.39Å; L586-Q590 WeakPolarHBondContact O-CG 3.43Å; L586-Q590 PolarHBondContact O-N 3.33Å; L586-Q658 HydrophobicContact CD1-CB 3.83Å; L586-Q658 HydrophobicContact CD1-CG 3.84Å; L586-D661 HydrophobicContact CD1-CB 4.1Å; L586-D661 HydrophobicContact CD2-CB 4.29Å; L586-F662 VanDerWaalsContact CD2-CA 3.49Å; L586-F662 HydrophobicContact CD2-CB 3.76Å; L586-F662 VanDerWaalsContact CD2-N 3.27Å
587D89.9Confident84.6Confident34 Ų3434.6 Ų34.618%0.18220%0.2CC..Hα-helixtrans-59-46.6173.8-177.142.2000111R511 D583 F584 L589 Q590 E591R511-D587 IonicContact CZ-OD1 3.47Å; R511-D587 IonicContact CZ-OD2 3.94Å; R511-D587 IonicContact NE-OD1 3.37Å; R511-D587 IonicContact NE-OD2 2.69Å; R511-D587 PolarHBondContact NE-OD2 3.08Å; R511-D587 VanDerWaalsContact NH2-CG 3.27Å; R511-D587 IonicContact NH2-OD1 3.16Å; R511-D587 PolarHBondContact NH2-OD1 3.01Å; R511-D587 IonicContact NH2-OD2 2.62Å; R511-D587 PolarHBondContact NH2-OD2 3.47Å; D583-D587 WeakPolarHBondContact O-CB 3.49Å; D583-D587 PolarHBondContact O-N 3.31Å; F584-D587 WeakPolarHBondContact O-CB 3.16Å; F584-D587 PolarHBondContact O-N 2.68Å; D587-L589 PolarHBondContact O-N 3.17Å; D587-Q590 PolarHBondContact O-N 2.98Å; D587-E591 PolarHBondContact O-N 3.15Å; D587-E591 VanDerWaalsContact O-N 3.08Å
588L90.6Very high84Confident0 Ų029.6 Ų29.60%018%0.178CC..Hα-helixtrans-64.1-37174.2-61.3-163000113.1L516 F584 E591 L592 L636 A639 L640 M643L516-L588 HydrophobicContact CD1-CD1 4.36Å; L516-L588 HydrophobicContact CD1-CD2 3.38Å; F584-L588 HydrophobicContact CD2-CD2 4.32Å; F584-L588 HydrophobicContact CD2-CG 4.42Å; F584-L588 HydrophobicContact CE1-CD1 4.06Å; F584-L588 HydrophobicContact CE1-CG 4.48Å; F584-L588 HydrophobicContact CE2-CD1 4.47Å; F584-L588 HydrophobicContact CE2-CD2 3.74Å; F584-L588 HydrophobicContact CE2-CG 4.15Å; F584-L588 HydrophobicContact CZ-CD1 4Å; F584-L588 HydrophobicContact CZ-CD2 3.97Å; F584-L588 HydrophobicContact CZ-CG 4.18Å; F584-L588 WeakPolarHBondContact O-CG 3.25Å; F584-L588 PolarHBondContact O-N 3.48Å; L588-E591 PolarHBondContact O-N 3.41Å; L588-L592 WeakPolarHBondContact O-CB 3.36Å; L588-L592 PolarHBondContact O-N 2.76Å; L588-L636 HydrophobicContact CB-CD1 3.8Å; L588-L636 HydrophobicContact CD1-CD1 4.29Å; L588-L636 HydrophobicContact CD2-CD1 3.72Å; L588-L636 HydrophobicContact CG-CD1 4.12Å; L588-A639 HydrophobicContact CD1-CB 3.84Å; L588-L640 HydrophobicContact CB-CD1 4.46Å; L588-L640 HydrophobicContact CB-CD2 3.66Å; L588-L640 HydrophobicContact CB-CG 4Å; L588-L640 HydrophobicContact CD1-CD2 4.28Å; L588-L640 HydrophobicContact CD1-CG 4.25Å; L588-M643 HydrophobicContact CD1-SD 4.08Å
589L87.9Confident82.9Confident15 Ų1531.7 Ų31.78%0.07919%0.186CC..Hα-helixtrans-70.4-33176.8-77.9175.2000113.2F585 L586 D587 T593 L640 F662F585-L589 HydrophobicContact CD1-CD1 3.96Å; F585-L589 HydrophobicContact CE1-CD1 3.53Å; F585-L589 HydrophobicContact CE2-CD1 4.16Å; F585-L589 HydrophobicContact CE2-CG 4.39Å; F585-L589 HydrophobicContact CG-CD1 4.46Å; F585-L589 HydrophobicContact CZ-CD1 3.64Å; F585-L589 HydrophobicContact CZ-CG 4.34Å; F585-L589 WeakPolarHBondContact O-CG 3.46Å; F585-L589 PolarHBondContact O-N 3Å; L586-L589 PolarHBondContact O-N 3.39Å; D587-L589 PolarHBondContact O-N 3.17Å; L589-T593 WeakPolarHBondContact O-CB 3.37Å; L589-T593 PolarHBondContact O-N 2.99Å; L589-T593 PolarHBondContact O-OG1 3.31Å; L589-L640 HydrophobicContact CD2-CD1 4.43Å; L589-L640 HydrophobicContact CD2-CD2 4.12Å; L589-L640 HydrophobicContact CG-CD2 4.09Å; L589-F662 HydrophobicContact CD1-CD2 3.54Å; L589-F662 HydrophobicContact CD1-CE2 3.79Å
590Q86.6Confident81.4Confident99 Ų9932.8 Ų32.846%0.46319%0.192SC..Hα-helixtrans-69.1-40.9173.7-74175.334.400110.9L586 D587 T593 G594L586-Q590 WeakPolarHBondContact O-CG 3.43Å; L586-Q590 PolarHBondContact O-N 3.33Å; D587-Q590 PolarHBondContact O-N 2.98Å; Q590-T593 WeakPolarHBondContact O-CB 3.5Å; Q590-T593 PolarHBondContact O-N 3.41Å; Q590-T593 VanDerWaalsContact O-N 3.17Å; Q590-G594 PolarHBondContact O-N 2.77Å
591E85.5Confident79.8Confident46 Ų4637.9 Ų37.922%0.21522%0.215CC..Hα-helixtrans-61-47.1174.3-163.1144.3113.300111.9R511 D587 L588 T593 G594 W595 L636R511-E591 IonicContact CZ-OE2 3.8Å; R511-E591 IonicContact NH1-OE1 2.8Å; R511-E591 PolarHBondContact NH1-OE1 3.38Å; R511-E591 IonicContact NH1-OE2 3.73Å; R511-E591 PolarHBondContact NH1-OE2 3.05Å; R511-E591 IonicContact NH2-OE2 2.76Å; R511-E591 PolarHBondContact NH2-OE2 2.83Å; D587-E591 PolarHBondContact O-N 3.15Å; D587-E591 VanDerWaalsContact O-N 3.08Å; L588-E591 PolarHBondContact O-N 3.41Å; E591-T593 PolarHBondContact O-N 3.14Å; E591-G594 PolarHBondContact O-N 3.39Å; E591-G594 VanDerWaalsContact O-N 3.12Å; E591-W595 HydrophobicContact CG-CZ2 4.45Å; E591-W595 PolarHBondContact O-N 2.87Å; E591-L636 HydrophobicContact CB-CD2 4.21Å; E591-L636 HydrophobicContact CG-CD2 4.22Å
592L84.8Confident78.2Confident39 Ų3940 Ų4020%0.20422%0.224CC..Hα-helixtrans-59.9-34.3174.2-179.261.8000112.5L588 A596 L636 L637 L640L588-L592 WeakPolarHBondContact O-CB 3.36Å; L588-L592 PolarHBondContact O-N 2.76Å; L592-A596 PolarHBondContact O-N 2.91Å; L592-L636 HydrophobicContact CB-CD2 3.91Å; L592-L636 HydrophobicContact CD1-CD2 4.44Å; L592-L637 HydrophobicContact CD1-CD2 4.02Å; L592-L637 HydrophobicContact CD2-CD2 4.39Å; L592-L640 HydrophobicContact CB-CD1 4.36Å; L592-L640 HydrophobicContact CD2-CD1 3.74Å
593T80.8Confident76.6Confident12 Ų1244.5 Ų44.57%0.07425%0.248CC..Hα-helixtrans-72.4-37.4177-57.50000111.6L589 Q590 E591 A596 A597 Q668 R669L589-T593 WeakPolarHBondContact O-CB 3.37Å; L589-T593 PolarHBondContact O-N 2.99Å; L589-T593 PolarHBondContact O-OG1 3.31Å; Q590-T593 WeakPolarHBondContact O-CB 3.5Å; Q590-T593 PolarHBondContact O-N 3.41Å; Q590-T593 VanDerWaalsContact O-N 3.17Å; E591-T593 PolarHBondContact O-N 3.14Å; T593-A596 PolarHBondContact O-N 3.4Å; T593-A597 PolarHBondContact O-N 3.16Å; T593-Q668 HydrophobicContact CG2-CB 4.01Å; T593-R669 HydrophobicContact CG2-CB 3.97Å
594G79.3Confident74.7Confident42 Ų4247.4 Ų47.443%0.43326%0.258SS..Hα-helixtrans-64.4-41172.400000112.8Q590 E591 A597 A598Q590-G594 PolarHBondContact O-N 2.77Å; E591-G594 PolarHBondContact O-N 3.39Å; E591-G594 VanDerWaalsContact O-N 3.12Å; G594-A597 PolarHBondContact O-N 2.8Å; G594-A598 PolarHBondContact O-N 3.26Å
595W75.6Confident72.7Confident59 Ų5952.5 Ų52.522%0.22329%0.286CS..Hα-helixtrans-71.1-29.9176-73.2-11.7000114.1E591 A597 A598 L599 E632 K633 L636E591-W595 HydrophobicContact CG-CZ2 4.45Å; E591-W595 PolarHBondContact O-N 2.87Å; W595-A597 VanDerWaalsContact C-N 3.32Å; W595-A598 PolarHBondContact O-N 2.99Å; W595-L599 PolarHBondContact O-N 2.84Å; W595-E632 HydrophobicContact CH2-CB 3.79Å; W595-E632 HydrophobicContact CZ2-CB 4.23Å; W595-K633 HydrophobicContact CD2-CG 4.16Å; W595-K633 HydrophobicContact CE3-CB 4.45Å; W595-K633 HydrophobicContact CE3-CG 3.6Å; W595-K633 HydrophobicContact CH2-CG 4.4Å; W595-K633 VanDerWaalsContact CZ3-CA 3.5Å; W595-K633 HydrophobicContact CZ3-CB 4.24Å; W595-K633 HydrophobicContact CZ3-CG 3.76Å; W595-L636 HydrophobicContact CD2-CD2 4.46Å; W595-L636 HydrophobicContact CE3-CD2 3.5Å; W595-L636 VanDerWaalsContact CE3-CD2 3.5Å; W595-L636 HydrophobicContact CH2-CB 4.27Å; W595-L636 HydrophobicContact CH2-CD2 4.1Å; W595-L636 HydrophobicContact CZ3-CB 3.65Å; W595-L636 HydrophobicContact CZ3-CD2 3.27Å; W595-L636 HydrophobicContact CZ3-CG 4.07Å
596A70.1Confident70.8Confident31 Ų3158.3 Ų58.326%0.25631%0.313SS..Hα-helixtrans-60.6-43.9169.800000111.1L592 T593 A598 L599 R669L592-A596 PolarHBondContact O-N 2.91Å; T593-A596 PolarHBondContact O-N 3.4Å; A596-A598 VanDerWaalsContact C-N 3.34Å; A596-A598 PolarHBondContact O-N 3.45Å; A596-L599 PolarHBondContact O-N 3.49Å; A596-R669 HydrophobicContact CB-CG 4.14Å
597A67Low69Low47 Ų4766.4 Ų66.439%0.38835%0.351SS..Hα-helixtrans-69.3-28.4176.400000113.7T593 G594 W595 V672T593-A597 PolarHBondContact O-N 3.16Å; G594-A597 PolarHBondContact O-N 2.8Å; W595-A597 VanDerWaalsContact C-N 3.32Å; A597-V672 HydrophobicContact CB-CG1 4.14Å; A597-V672 HydrophobicContact CB-CG2 3.95Å
598A64.1Low67.1Low36 Ų3673.2 Ų73.230%0.29838%0.381SS..Hα-helixtrans-76.2-26.5174.600000113G594 W595 A596 D600 E601 E602G594-A598 PolarHBondContact O-N 3.26Å; W595-A598 PolarHBondContact O-N 2.99Å; A596-A598 VanDerWaalsContact C-N 3.34Å; A596-A598 PolarHBondContact O-N 3.45Å; A598-D600 VanDerWaalsContact C-N 3.33Å; A598-D600 PolarHBondContact O-N 2.8Å; A598-E601 PolarHBondContact O-N 2.84Å; A598-E601 VanDerWaalsContact O-N 3.09Å; A598-E602 PolarHBondContact O-N 3.08Å
599L61.9Low65.4Low80 Ų8076 Ų7642%0.41940%0.398SS..Hα-helixtrans-63.3-38.9-176.5-135.587.7000112.3W595 A596 E601 E602 L603W595-L599 PolarHBondContact O-N 2.84Å; A596-L599 PolarHBondContact O-N 3.49Å; L599-E601 PolarHBondContact O-N 2.78Å; L599-E602 PolarHBondContact O-N 3.31Å; L599-L603 WeakPolarHBondContact O-CB 3.08Å; L599-L603 WeakPolarHBondContact O-CG 3.36Å; L599-L603 PolarHBondContact O-N 2.9Å
600D55.3Low63.9Low61 Ų6180.2 Ų80.233%0.32642%0.421SS..Hα-helixtrans-69.3-15.3177.4-71.4-33.9000113A598 K604A598-D600 VanDerWaalsContact C-N 3.33Å; A598-D600 PolarHBondContact O-N 2.8Å; D600-K604 WeakPolarHBondContact O-CD 3.32Å; D600-K604 VanDerWaalsContact O-CE 3.27Å; D600-K604 WeakPolarHBondContact O-CE 3.32Å; D600-K604 WeakPolarHBondContact O-CG 3.42Å; D600-K604 PolarHBondContact O-NZ 3.28Å
601E56.3Low62.6Low113 Ų11380.4 Ų80.453%0.52843%0.428SS..Hα-helixtrans-96-41.5171.6-58.7-68.410300111.1A598 L599 L603 K604 D605A598-E601 PolarHBondContact O-N 2.84Å; A598-E601 VanDerWaalsContact O-N 3.09Å; L599-E601 PolarHBondContact O-N 2.78Å; E601-L603 PolarHBondContact O-N 3.11Å; E601-K604 WeakPolarHBondContact O-CA 3.4Å; E601-K604 WeakPolarHBondContact O-CB 3.3Å; E601-K604 PolarHBondContact O-N 3.15Å; E601-K604 IonicContact OE1-NZ 2.63Å; E601-K604 PolarHBondContact OE1-NZ 3.4Å; E601-D605 PolarHBondContact O-N 3.02Å
602E56.1Low61.3Low48 Ų4882.6 Ų82.622%0.22445%0.454CS..Hα-helixtrans-57.6-34.8174.3-74-173.2131.800111.9A598 L599 K604 E606 R629 K633A598-E602 PolarHBondContact O-N 3.08Å; L599-E602 PolarHBondContact O-N 3.31Å; E602-K604 VanDerWaalsContact C-N 3.32Å; E602-K604 PolarHBondContact O-N 3.17Å; E602-E606 PolarHBondContact O-N 3.12Å; E602-R629 WeakPolarHBondContact OE1-CD 3.35Å; E602-R629 IonicContact OE1-CZ 2.76Å; E602-R629 IonicContact OE1-NH1 3.76Å; E602-R629 PolarHBondContact OE1-NH1 3.08Å; E602-K633 IonicContact OE1-NZ 3.33Å; E602-K633 IonicContact OE2-NZ 2.73Å; E602-K633 PolarHBondContact OE2-NZ 2.86Å
603L54.1Low60.3Low96 Ų9684.6 Ų84.650%0.50348%0.476SS..Hα-helixtrans-70-22.1174-75.1169.6000114.2L599 E601L599-L603 WeakPolarHBondContact O-CB 3.08Å; L599-L603 WeakPolarHBondContact O-CG 3.36Å; L599-L603 PolarHBondContact O-N 2.9Å; E601-L603 PolarHBondContact O-N 3.11Å
604K49.8Very low59.8Low111 Ų11187.2 Ų87.248%0.48349%0.489SS..Hα-helixtrans-83.2-42.5174.1-62.9171.3-176.3114.20110.3D600 E601 E602 E607 E608D600-K604 WeakPolarHBondContact O-CD 3.32Å; D600-K604 VanDerWaalsContact O-CE 3.27Å; D600-K604 WeakPolarHBondContact O-CE 3.32Å; D600-K604 WeakPolarHBondContact O-CG 3.42Å; D600-K604 PolarHBondContact O-NZ 3.28Å; E601-K604 WeakPolarHBondContact O-CA 3.4Å; E601-K604 WeakPolarHBondContact O-CB 3.3Å; E601-K604 PolarHBondContact O-N 3.15Å; E601-K604 IonicContact OE1-NZ 2.63Å; E601-K604 PolarHBondContact OE1-NZ 3.4Å; E602-K604 VanDerWaalsContact C-N 3.32Å; E602-K604 PolarHBondContact O-N 3.17Å; K604-E607 PolarHBondContact O-N 3.3Å; K604-E607 VanDerWaalsContact O-N 3.17Å; K604-E608 PolarHBondContact O-N 3.07Å
605D50Low59.6Low110 Ų11089.1 Ų89.159%0.58849%0.492SS*.Hα-helixtrans-61.8-41.5175.1-76.9-16.7000111.7E601 E607 E608 V609E601-D605 PolarHBondContact O-N 3.02Å; D605-E607 PolarHBondContact O-N 3.01Å; D605-E608 PolarHBondContact O-N 3.3Å; D605-V609 WeakPolarHBondContact O-CG2 3.34Å; D605-V609 PolarHBondContact O-N 2.65Å
606E52.3Low59.2Low135 Ų13593.4 Ų93.463%0.63152%0.518SS*.Hα-helixtrans-65.4-17.9176.3-77.8-168170.200113.4E602 R630E602-E606 PolarHBondContact O-N 3.12Å; E606-R630 IonicContact OE1-NH2 3.17Å; E606-R630 PolarHBondContact OE1-NH2 3.03Å
607E50.1Low59Low181 Ų18196.9 Ų96.985%0.84653%0.532SS*.Hα-helixtrans-87.1-19.7173.7-73.3-165.9158.200114.2K604 D605K604-E607 PolarHBondContact O-N 3.3Å; K604-E607 VanDerWaalsContact O-N 3.17Å; D605-E607 PolarHBondContact O-N 3.01Å
608E50.8Low59.1Low177 Ų17799 Ų9983%0.82753%0.534SS*.Hα-helixtrans-101.8-7.5-176.9-67.8-156.7158.800115.5K604 D605 D610K604-E608 PolarHBondContact O-N 3.07Å; D605-E608 PolarHBondContact O-N 3.3Å; E608-D610 PolarHBondContact O-N 2.84Å
609V56Low59.3Low57 Ų5799.2 Ų99.235%0.34553%0.532SS..  trans-76.7105.8-176.81710000113.1D605 V611 M614D605-V609 WeakPolarHBondContact O-CG2 3.34Å; D605-V609 PolarHBondContact O-N 2.65Å; V609-V611 HydrophobicContact CG1-CG2 4.38Å; V609-V611 PolarHBondContact O-N 3.4Å; V609-M614 HydrophobicContact CG1-CE 3.67Å; V609-M614 HydrophobicContact CG1-SD 4Å
610D54.8Low59.6Low105 Ų105100.7 Ų100.756%0.56154%0.536SS*.  trans-73.893.6168.8-175.37.3000111.8E608 A612 A613E608-D610 PolarHBondContact O-N 2.84Å; D610-A612 PolarHBondContact O-N 3.31Å; D610-A612 VanDerWaalsContact O-N 3.08Å; D610-A612 VanDerWaalsContact OD1-CB 3.27Å; D610-A612 WeakPolarHBondContact OD1-CB 3.4Å; D610-A612 PolarHBondContact OD1-N 2.87Å; D610-A613 HydrophobicContact CB-CB 4.47Å; D610-A613 WeakPolarHBondContact O-CB 3.44Å; D610-A613 PolarHBondContact O-N 3.06Å
611V60.2Low60.2Low103 Ų103104 Ų10462%0.62455%0.55SS*.THydrogen-bonded Turntrans-57.2-20.8176.7-174.10000112.8V609 A613V609-V611 HydrophobicContact CG1-CG2 4.38Å; V609-V611 PolarHBondContact O-N 3.4Å; V611-A613 VanDerWaalsContact C-N 3.28Å; V611-A613 PolarHBondContact O-N 2.68Å
612A58.4Low60.7Low92 Ų92103.2 Ų103.276%0.7655%0.546SS*.THydrogen-bonded Turntrans-76.4-12.5177.100000113.8D610D610-A612 PolarHBondContact O-N 3.31Å; D610-A612 VanDerWaalsContact O-N 3.08Å; D610-A612 VanDerWaalsContact OD1-CB 3.27Å; D610-A612 WeakPolarHBondContact OD1-CB 3.4Å; D610-A612 PolarHBondContact OD1-N 2.87Å
613A62.8Low61.2Low80 Ų80106.6 Ų106.666%0.66157%0.565SS**SBendtrans-96.5-14.3-17800000114.5D610 V611D610-A613 HydrophobicContact CB-CB 4.47Å; D610-A613 WeakPolarHBondContact O-CB 3.44Å; D610-A613 PolarHBondContact O-N 3.06Å; V611-A613 VanDerWaalsContact C-N 3.28Å; V611-A613 PolarHBondContact O-N 2.68Å
614M71.3Confident61.5Low68 Ų68106.7 Ų106.734%0.33557%0.566SS.*SBendtrans-91.5152-172.1-67.6-174.3168.900113.7V609 V619 Q622V609-M614 HydrophobicContact CG1-CE 3.67Å; V609-M614 HydrophobicContact CG1-SD 4Å; M614-V619 HydrophobicContact CB-CG2 3.87Å; M614-Q622 PolarHBondContact SD-OE1 3.26Å; M614-Q622 VanDerWaalsContact SD-OE1 3.34Å
615T75.4Confident62.3Low81 Ų81102.3 Ų102.350%0.49755%0.552SS.*  trans-81.3155.2170.771.30000111.6L617 E618 V619T615-L617 PolarHBondContact O-N 3.48Å; T615-L617 VanDerWaalsContact O-N 3.11Å; T615-E618 WeakPolarHBondContact CA-OE2 3.07Å; T615-E618 VanDerWaalsContact CB-OE2 3.24Å; T615-E618 WeakPolarHBondContact CB-OE2 3.44Å; T615-E618 WeakPolarHBondContact CG2-OE2 3.23Å; T615-E618 PolarHBondContact N-OE2 2.97Å; T615-E618 PolarHBondContact O-N 2.9Å; T615-E618 WeakPolarHBondContact OG1-CG 3.47Å; T615-E618 PolarHBondContact OG1-OE2 3.39Å; T615-V619 PolarHBondContact O-N 3.1Å
616L67.3Low63.2Low150 Ų15097.9 Ų97.979%0.78553%0.532SS*.Hα-helixtrans-58.1-30.7-175.1-142.8158.1000112.9E620L616-E620 WeakPolarHBondContact O-CB 3.26Å; L616-E620 PolarHBondContact O-N 3.43Å
617L65.8Low63.9Low103 Ų10394 Ų9454%0.53952%0.523SS..Hα-helixtrans-80.1-29.6178.5-170.7144.8000112.9T615 Q621T615-L617 PolarHBondContact O-N 3.48Å; T615-L617 VanDerWaalsContact O-N 3.11Å; L617-Q621 HydrophobicContact CD2-CG 4.45Å; L617-Q621 WeakPolarHBondContact O-CB 3.19Å; L617-Q621 WeakPolarHBondContact O-CG 3.43Å; L617-Q621 PolarHBondContact O-N 3.23Å
618E69.2Low64.8Low92 Ų9291.3 Ų91.343%0.4351%0.51SS..Hα-helixtrans-71-39.5171.5-69.1158.814500110.6T615 Q621 Q622T615-E618 WeakPolarHBondContact CA-OE2 3.07Å; T615-E618 VanDerWaalsContact CB-OE2 3.24Å; T615-E618 WeakPolarHBondContact CB-OE2 3.44Å; T615-E618 WeakPolarHBondContact CG2-OE2 3.23Å; T615-E618 PolarHBondContact N-OE2 2.97Å; T615-E618 PolarHBondContact O-N 2.9Å; T615-E618 WeakPolarHBondContact OG1-CG 3.47Å; T615-E618 PolarHBondContact OG1-OE2 3.39Å; E618-Q621 PolarHBondContact O-N 3.39Å; E618-Q622 PolarHBondContact O-N 3.38Å
619V66.6Low65.7Low41 Ų4189.1 Ų89.125%0.24850%0.495CS..Hα-helixtrans-63-43172.21760000111.2M614 T615 Q622 L623M614-V619 HydrophobicContact CB-CG2 3.87Å; T615-V619 PolarHBondContact O-N 3.1Å; V619-Q622 PolarHBondContact O-N 3.1Å; V619-L623 HydrophobicContact CG1-CD1 3.93Å; V619-L623 HydrophobicContact CG1-CG 4.41Å; V619-L623 WeakPolarHBondContact O-CB 3.34Å; V619-L623 VanDerWaalsContact O-CG 3.3Å; V619-L623 WeakPolarHBondContact O-CG 3.44Å; V619-L623 PolarHBondContact O-N 3.37Å
620E68.4Low66.5Low111 Ų11193.7 Ų93.752%0.51951%0.506SS..Hα-helixtrans-61.5-43.8174.7-173.6172.1-157.400111.7L616 L623 L624L616-E620 WeakPolarHBondContact O-CB 3.26Å; L616-E620 PolarHBondContact O-N 3.43Å; E620-L623 PolarHBondContact O-N 3.36Å; E620-L624 HydrophobicContact CG-CD1 3.97Å; E620-L624 WeakPolarHBondContact O-CB 3.27Å; E620-L624 VanDerWaalsContact O-CG 3.29Å; E620-L624 WeakPolarHBondContact O-CG 3.39Å; E620-L624 PolarHBondContact O-N 2.97Å
621Q68.6Low67.5Low130 Ų13091.4 Ų91.461%0.60750%0.501SS*.Hα-helixtrans-65.8-37.7175.7-75.4-178.9-5.300113.4L617 E618 G625L617-Q621 HydrophobicContact CD2-CG 4.45Å; L617-Q621 WeakPolarHBondContact O-CB 3.19Å; L617-Q621 WeakPolarHBondContact O-CG 3.43Å; L617-Q621 PolarHBondContact O-N 3.23Å; E618-Q621 PolarHBondContact O-N 3.39Å; Q621-G625 PolarHBondContact O-N 2.99Å
622Q67.6Low68.3Low97 Ų9790.6 Ų90.645%0.45349%0.49SS..Hα-helixtrans-65.4-44173-80.6-169.8-34.200112.2M614 E618 V619 G626M614-Q622 PolarHBondContact SD-OE1 3.26Å; M614-Q622 VanDerWaalsContact SD-OE1 3.34Å; E618-Q622 PolarHBondContact O-N 3.38Å; V619-Q622 PolarHBondContact O-N 3.1Å; Q622-G626 PolarHBondContact O-N 3.5Å
623L64.9Low69.4Low119 Ų11988.4 Ų88.462%0.62346%0.464SS*.Hα-helixtrans-66.9-41.9179.7-71.9172.1000112V619 E620 A627V619-L623 HydrophobicContact CG1-CD1 3.93Å; V619-L623 HydrophobicContact CG1-CG 4.41Å; V619-L623 WeakPolarHBondContact O-CB 3.34Å; V619-L623 VanDerWaalsContact O-CG 3.3Å; V619-L623 WeakPolarHBondContact O-CG 3.44Å; V619-L623 PolarHBondContact O-N 3.37Å; E620-L623 PolarHBondContact O-N 3.36Å; L623-A627 WeakPolarHBondContact O-CB 3.32Å; L623-A627 PolarHBondContact O-N 2.92Å
624L61.4Low70.4Confident98 Ų9889.4 Ų89.451%0.51346%0.457SS..Hα-helixtrans-65.5-51.2175-71.1171.5000111.4E620 G626 A627 E628E620-L624 HydrophobicContact CG-CD1 3.97Å; E620-L624 WeakPolarHBondContact O-CB 3.27Å; E620-L624 VanDerWaalsContact O-CG 3.29Å; E620-L624 WeakPolarHBondContact O-CG 3.39Å; E620-L624 PolarHBondContact O-N 2.97Å; L624-G626 VanDerWaalsContact C-N 3.27Å; L624-G626 PolarHBondContact O-N 3.21Å; L624-A627 WeakPolarHBondContact O-CA 3.16Å; L624-A627 WeakPolarHBondContact O-CB 3.33Å; L624-A627 PolarHBondContact O-N 3.35Å; L624-E628 WeakPolarHBondContact O-CG 3.38Å; L624-E628 PolarHBondContact O-N 3.43Å
625G66.1Low70.9Confident19 Ų1987.5 Ų87.520%0.19645%0.45CS..Hα-helixtrans-62.7-32.1177.900000113.3Q621 R629Q621-G625 PolarHBondContact O-N 2.99Å; G625-R629 WeakPolarHBondContact O-CG 3.22Å; G625-R629 PolarHBondContact O-N 3.15Å
626G68.3Low71.6Confident16 Ų1683.7 Ų83.717%0.16543%0.426CS..Hα-helixtrans-69.1-37.5171.500000113Q622 L624 R630Q622-G626 PolarHBondContact O-N 3.5Å; L624-G626 VanDerWaalsContact C-N 3.27Å; L624-G626 PolarHBondContact O-N 3.21Å; G626-R630 WeakPolarHBondContact O-CB 3.33Å; G626-R630 VanDerWaalsContact O-CD 3.28Å; G626-R630 WeakPolarHBondContact O-CD 3.27Å; G626-R630 WeakPolarHBondContact O-CG 3.29Å; G626-R630 PolarHBondContact O-N 2.94Å; G626-R630 VanDerWaalsContact O-N 3.12Å
627A67.1Low72.5Confident53 Ų5381.2 Ų81.244%0.43841%0.413SS..Hα-helixtrans-68.7-41.2173.600000112L623 L624 R630 A631L623-A627 WeakPolarHBondContact O-CB 3.32Å; L623-A627 PolarHBondContact O-N 2.92Å; L624-A627 WeakPolarHBondContact O-CA 3.16Å; L624-A627 WeakPolarHBondContact O-CB 3.33Å; L624-A627 PolarHBondContact O-N 3.35Å; A627-R630 PolarHBondContact O-N 2.84Å; A627-A631 PolarHBondContact O-N 3.46Å
628E68.8Low73.5Confident126 Ų12678.1 Ų78.159%0.58940%0.396SS*.Hα-helixtrans-60.2-52.3175-72.1173.6163.200111.1L624 R630 A631 E632L624-E628 WeakPolarHBondContact O-CG 3.38Å; L624-E628 PolarHBondContact O-N 3.43Å; E628-R630 PolarHBondContact O-N 3.3Å; E628-A631 WeakPolarHBondContact O-CB 3.18Å; E628-A631 PolarHBondContact O-N 3.01Å; E628-E632 WeakPolarHBondContact O-CG 3.45Å; E628-E632 PolarHBondContact O-N 3.39Å
629R70.5Confident74.4Confident131 Ų13173.9 Ų73.949%0.49438%0.377SS..Hα-helixtrans-56.4-36173.9-71.8-178.5-142.3174.85.7112.9E602 G625 K633E602-R629 WeakPolarHBondContact OE1-CD 3.35Å; E602-R629 IonicContact OE1-CZ 2.76Å; E602-R629 IonicContact OE1-NH1 3.76Å; E602-R629 PolarHBondContact OE1-NH1 3.08Å; G625-R629 WeakPolarHBondContact O-CG 3.22Å; G625-R629 PolarHBondContact O-N 3.15Å; R629-K633 VanDerWaalsContact O-CB 3.32Å; R629-K633 WeakPolarHBondContact O-CB 3.19Å; R629-K633 WeakPolarHBondContact O-CG 3.48Å; R629-K633 PolarHBondContact O-N 2.86Å
630R73.7Confident75.6Confident153 Ų15372.7 Ų72.758%0.57737%0.369SS*.Hα-helixtrans-72.3-34.4177.6-72.8165.7-170.9162.54.1111.8E606 G626 A627 E628 L634E606-R630 IonicContact OE1-NH2 3.17Å; E606-R630 PolarHBondContact OE1-NH2 3.03Å; G626-R630 WeakPolarHBondContact O-CB 3.33Å; G626-R630 VanDerWaalsContact O-CD 3.28Å; G626-R630 WeakPolarHBondContact O-CD 3.27Å; G626-R630 WeakPolarHBondContact O-CG 3.29Å; G626-R630 PolarHBondContact O-N 2.94Å; G626-R630 VanDerWaalsContact O-N 3.12Å; A627-R630 PolarHBondContact O-N 2.84Å; E628-R630 PolarHBondContact O-N 3.3Å; R630-L634 PolarHBondContact O-N 3.47Å
631A74.6Confident76.5Confident57 Ų5769.4 Ų69.447%0.47136%0.361SS..Hα-helixtrans-68.4-43.6172.400000111.7A627 E628 L634 T635A627-A631 PolarHBondContact O-N 3.46Å; E628-A631 WeakPolarHBondContact O-CB 3.18Å; E628-A631 PolarHBondContact O-N 3.01Å; A631-L634 PolarHBondContact O-N 3.46Å; A631-L634 VanDerWaalsContact O-N 3.14Å; A631-T635 PolarHBondContact O-N 2.69Å; A631-T635 PolarHBondContact O-OG1 3.13Å
632E78Confident77.5Confident85 Ų8563.7 Ų63.740%0.39734%0.335SS..Hα-helixtrans-60.8-43.5172.9-67.9179.4154.800111.7W595 E628 L634 T635 L636W595-E632 HydrophobicContact CH2-CB 3.79Å; W595-E632 HydrophobicContact CZ2-CB 4.23Å; E628-E632 WeakPolarHBondContact O-CG 3.45Å; E628-E632 PolarHBondContact O-N 3.39Å; E632-L634 VanDerWaalsContact C-N 3.27Å; E632-L634 PolarHBondContact O-N 2.8Å; E632-T635 PolarHBondContact O-N 3.13Å; E632-T635 PolarHBondContact O-OG1 3.07Å; E632-L636 WeakPolarHBondContact O-CB 3.37Å; E632-L636 PolarHBondContact O-N 3.43Å
633K81.3Confident78.5Confident47 Ų4759.1 Ų59.120%0.20431%0.314CS..Hα-helixtrans-57.9-37.9172.2-77.1169.6-177.7-179.90112.3W595 E602 R629 L637W595-K633 HydrophobicContact CD2-CG 4.16Å; W595-K633 HydrophobicContact CE3-CB 4.45Å; W595-K633 HydrophobicContact CE3-CG 3.6Å; W595-K633 HydrophobicContact CH2-CG 4.4Å; W595-K633 VanDerWaalsContact CZ3-CA 3.5Å; W595-K633 HydrophobicContact CZ3-CB 4.24Å; W595-K633 HydrophobicContact CZ3-CG 3.76Å; E602-K633 IonicContact OE1-NZ 3.33Å; E602-K633 IonicContact OE2-NZ 2.73Å; E602-K633 PolarHBondContact OE2-NZ 2.86Å; R629-K633 VanDerWaalsContact O-CB 3.32Å; R629-K633 WeakPolarHBondContact O-CB 3.19Å; R629-K633 WeakPolarHBondContact O-CG 3.48Å; R629-K633 PolarHBondContact O-N 2.86Å; K633-L637 VanDerWaalsContact O-CG 3.32Å; K633-L637 WeakPolarHBondContact O-CG 3.47Å; K633-L637 PolarHBondContact O-N 3.33Å
634L82.6Confident79.6Confident100 Ų10057.7 Ų57.752%0.52431%0.309SS..Hα-helixtrans-75.3-42.6178-169.6141.3000112.8R630 A631 E632 L636 L637 Q638R630-L634 PolarHBondContact O-N 3.47Å; A631-L634 PolarHBondContact O-N 3.46Å; A631-L634 VanDerWaalsContact O-N 3.14Å; E632-L634 VanDerWaalsContact C-N 3.27Å; E632-L634 PolarHBondContact O-N 2.8Å; L634-L636 VanDerWaalsContact C-N 3.34Å; L634-L636 PolarHBondContact O-N 2.88Å; L634-L637 PolarHBondContact O-N 2.92Å; L634-Q638 WeakPolarHBondContact O-CB 3.34Å; L634-Q638 PolarHBondContact O-N 3.2Å
635T83.8Confident80.8Confident29 Ų2960.7 Ų60.718%0.17832%0.321CS..Hα-helixtrans-67.6-32.6178.454.60000112.5A631 E632 Q638 A639A631-T635 PolarHBondContact O-N 2.69Å; A631-T635 PolarHBondContact O-OG1 3.13Å; E632-T635 PolarHBondContact O-N 3.13Å; E632-T635 PolarHBondContact O-OG1 3.07Å; T635-Q638 PolarHBondContact O-N 2.87Å; T635-A639 VanDerWaalsContact O-CB 3.3Å; T635-A639 WeakPolarHBondContact O-CB 3.28Å; T635-A639 PolarHBondContact O-N 2.89Å
636L88.2Confident81.6Confident0 Ų063 Ų630%033%0.334CS..Hα-helixtrans-64.7-46.7174.2-175.666.1000111.8L516 L588 E591 L592 W595 E632 L634 Q638 A639 L640L516-L636 HydrophobicContact CD1-CD1 3.95Å; L516-L636 HydrophobicContact CD2-CB 3.85Å; L516-L636 HydrophobicContact CD2-CD1 4.14Å; L588-L636 HydrophobicContact CB-CD1 3.8Å; L588-L636 HydrophobicContact CD1-CD1 4.29Å; L588-L636 HydrophobicContact CD2-CD1 3.72Å; L588-L636 HydrophobicContact CG-CD1 4.12Å; E591-L636 HydrophobicContact CB-CD2 4.21Å; E591-L636 HydrophobicContact CG-CD2 4.22Å; L592-L636 HydrophobicContact CB-CD2 3.91Å; L592-L636 HydrophobicContact CD1-CD2 4.44Å; W595-L636 HydrophobicContact CD2-CD2 4.46Å; W595-L636 HydrophobicContact CE3-CD2 3.5Å; W595-L636 VanDerWaalsContact CE3-CD2 3.5Å; W595-L636 HydrophobicContact CH2-CB 4.27Å; W595-L636 HydrophobicContact CH2-CD2 4.1Å; W595-L636 HydrophobicContact CZ3-CB 3.65Å; W595-L636 HydrophobicContact CZ3-CD2 3.27Å; W595-L636 HydrophobicContact CZ3-CG 4.07Å; E632-L636 WeakPolarHBondContact O-CB 3.37Å; E632-L636 PolarHBondContact O-N 3.43Å; L634-L636 VanDerWaalsContact C-N 3.34Å; L634-L636 PolarHBondContact O-N 2.88Å; L636-Q638 VanDerWaalsContact C-N 3.34Å; L636-A639 PolarHBondContact O-N 3.07Å; L636-L640 HydrophobicContact CG-CD1 4.26Å; L636-L640 WeakPolarHBondContact O-CB 3.46Å; L636-L640 WeakPolarHBondContact O-CG 3.32Å; L636-L640 PolarHBondContact O-N 3.29Å
637L87.5Confident82.5Confident98 Ų9862.8 Ų62.851%0.51333%0.329SS..Hα-helixtrans-65-39.3177.3-69.3172.3000111.5L592 K633 L634 L640 A641L592-L637 HydrophobicContact CD1-CD2 4.02Å; L592-L637 HydrophobicContact CD2-CD2 4.39Å; K633-L637 VanDerWaalsContact O-CG 3.32Å; K633-L637 WeakPolarHBondContact O-CG 3.47Å; K633-L637 PolarHBondContact O-N 3.33Å; L634-L637 PolarHBondContact O-N 2.92Å; L637-L640 PolarHBondContact O-N 3.41Å; L637-A641 WeakPolarHBondContact O-CB 3.3Å; L637-A641 PolarHBondContact O-N 3.11Å
638Q86.8Confident83.2Confident39 Ų3966.7 Ų66.718%0.18234%0.338CS..Hα-helixtrans-66-42.8176.2-165.6178.717.700112L565 L634 T635 L636 A641 V642L565-Q638 HydrophobicContact CD1-CB 4.16Å; L565-Q638 HydrophobicContact CD1-CG 3.77Å; L634-Q638 WeakPolarHBondContact O-CB 3.34Å; L634-Q638 PolarHBondContact O-N 3.2Å; T635-Q638 PolarHBondContact O-N 2.87Å; L636-Q638 VanDerWaalsContact C-N 3.34Å; Q638-A641 PolarHBondContact O-N 2.82Å; Q638-V642 WeakPolarHBondContact O-CG2 3.23Å; Q638-V642 PolarHBondContact O-N 3.17Å
639A88.7Confident83.5Confident3 Ų368.7 Ų68.73%0.02535%0.348CS..Hα-helixtrans-62.4-45.8175.600000111.8L565 L588 T635 L636 A641 M643L565-A639 HydrophobicContact CD2-CB 3.94Å; L588-A639 HydrophobicContact CD1-CB 3.84Å; T635-A639 VanDerWaalsContact O-CB 3.3Å; T635-A639 WeakPolarHBondContact O-CB 3.28Å; T635-A639 PolarHBondContact O-N 2.89Å; L636-A639 PolarHBondContact O-N 3.07Å; A639-A641 PolarHBondContact O-N 2.93Å; A639-M643 WeakPolarHBondContact O-CB 3.42Å; A639-M643 VanDerWaalsContact O-CG 3.26Å; A639-M643 WeakPolarHBondContact O-CG 3.22Å; A639-M643 PolarHBondContact O-N 3.11Å
640L89.8Confident83.6Confident16 Ų1670.3 Ų70.38%0.08436%0.361CS..Hα-helixtrans-61.1-41.6175.1-77.1169.3000112.3F585 L588 L589 L592 L636 L637 V644F585-L640 HydrophobicContact CD2-CD2 3.78Å; F585-L640 HydrophobicContact CE2-CD2 3.8Å; L588-L640 HydrophobicContact CB-CD1 4.46Å; L588-L640 HydrophobicContact CB-CD2 3.66Å; L588-L640 HydrophobicContact CB-CG 4Å; L588-L640 HydrophobicContact CD1-CD2 4.28Å; L588-L640 HydrophobicContact CD1-CG 4.25Å; L589-L640 HydrophobicContact CD2-CD1 4.43Å; L589-L640 HydrophobicContact CD2-CD2 4.12Å; L589-L640 HydrophobicContact CG-CD2 4.09Å; L592-L640 HydrophobicContact CB-CD1 4.36Å; L592-L640 HydrophobicContact CD2-CD1 3.74Å; L636-L640 HydrophobicContact CG-CD1 4.26Å; L636-L640 WeakPolarHBondContact O-CB 3.46Å; L636-L640 WeakPolarHBondContact O-CG 3.32Å; L636-L640 PolarHBondContact O-N 3.29Å; L637-L640 PolarHBondContact O-N 3.41Å; L640-V644 WeakPolarHBondContact O-CG2 3.47Å; L640-V644 PolarHBondContact O-N 2.92Å; L640-V644 VanDerWaalsContact O-N 3.07Å
641A87.8Confident83.7Confident42 Ų4265 Ų6535%0.34734%0.343SS..Hα-helixtrans-62.4-55.1177.300000111.9L637 Q638 A639 M643 V644 E645L637-A641 WeakPolarHBondContact O-CB 3.3Å; L637-A641 PolarHBondContact O-N 3.11Å; Q638-A641 PolarHBondContact O-N 2.82Å; A639-A641 PolarHBondContact O-N 2.93Å; A641-M643 VanDerWaalsContact C-N 3.26Å; A641-M643 PolarHBondContact O-N 2.91Å; A641-V644 PolarHBondContact O-N 3.31Å; A641-E645 WeakPolarHBondContact O-CG 3.46Å; A641-E645 PolarHBondContact O-N 2.71Å
642V89.2Confident83.9Confident10 Ų1062.9 Ų62.96%0.06132%0.323CS..Hα-helixtrans-61.5-34.8-178.8178.10000111.5E566 V569 Q638 S646E566-V642 HydrophobicContact CG-CG1 4.13Å; V569-V642 HydrophobicContact CB-CG1 4.2Å; V569-V642 HydrophobicContact CG2-CG1 3.94Å; Q638-V642 WeakPolarHBondContact O-CG2 3.23Å; Q638-V642 PolarHBondContact O-N 3.17Å; V642-S646 WeakPolarHBondContact O-CB 3.35Å; V642-S646 PolarHBondContact O-N 2.96Å; V642-S646 PolarHBondContact O-OG 3.36Å
643M89.8Confident84.2Confident1 Ų161.1 Ų61.11%0.00532%0.316CS..Hα-helixtrans-64.2-44.2172.9-76.2-175.477.700113V569 L572 A581 F584 F585 L588 A639 A641 L647 L652V569-M643 HydrophobicContact CG1-CG 4.45Å; V569-M643 HydrophobicContact CG2-CG 3.63Å; L572-M643 HydrophobicContact CD1-CE 4.12Å; A581-M643 WeakPolarHBondContact O-CE 3.36Å; F584-M643 HydrophobicContact CD1-CE 3.79Å; F584-M643 HydrophobicContact CD1-SD 3.65Å; F584-M643 HydrophobicContact CE1-SD 3.81Å; F585-M643 HydrophobicContact CB-CE 3.76Å; L588-M643 HydrophobicContact CD1-SD 4.08Å; A639-M643 WeakPolarHBondContact O-CB 3.42Å; A639-M643 VanDerWaalsContact O-CG 3.26Å; A639-M643 WeakPolarHBondContact O-CG 3.22Å; A639-M643 PolarHBondContact O-N 3.11Å; A641-M643 VanDerWaalsContact C-N 3.26Å; A641-M643 PolarHBondContact O-N 2.91Å; M643-L647 HydrophobicContact CB-CD1 4.24Å; M643-L647 HydrophobicContact CE-CD1 3.87Å; M643-L647 HydrophobicContact CG-CD1 4.27Å; M643-L647 VanDerWaalsContact O-CB 3.27Å; M643-L647 WeakPolarHBondContact O-CB 3.47Å; M643-L647 WeakPolarHBondContact O-CG 3.47Å; M643-L647 PolarHBondContact O-N 3.02Å; M643-L647 VanDerWaalsContact O-N 3.07Å; M643-L652 HydrophobicContact CE-CD2 4.14Å
644V87.3Confident84.2Confident88 Ų8864.6 Ų64.653%0.53333%0.328SS..Hα-helixtrans-73.1-30.1-179.9171.40000112.3F585 L640 A641F585-V644 HydrophobicContact CE2-CG2 3.63Å; F585-V644 HydrophobicContact CZ-CG2 4.02Å; L640-V644 WeakPolarHBondContact O-CG2 3.47Å; L640-V644 PolarHBondContact O-N 2.92Å; L640-V644 VanDerWaalsContact O-N 3.07Å; A641-V644 PolarHBondContact O-N 3.31Å
645E87.4Confident84.1Confident161 Ų16164.5 Ų64.575%0.75232%0.323SS*.Hα-helixtrans-77.2-31.5176.1-70.9178.7174.300113.3A641A641-E645 WeakPolarHBondContact O-CG 3.46Å; A641-E645 PolarHBondContact O-N 2.71Å
646S83.5Confident84Confident68 Ų6865.4 Ų65.448%0.47633%0.329SS..Hα-helixtrans-109.8-10.5-169.3-49.70000115.7V642V642-S646 WeakPolarHBondContact O-CB 3.35Å; V642-S646 PolarHBondContact O-N 2.96Å; V642-S646 PolarHBondContact O-OG 3.36Å
647L85.6Confident83.8Confident12 Ų1267.4 Ų67.46%0.06334%0.343CS..SBendtrans-113137.3180-59.7172.6000111.8V569 L572 A573 A581 M643 L652V569-L647 HydrophobicContact CG1-CD1 3.93Å; V569-L647 HydrophobicContact CG1-CD2 3.78Å; V569-L647 HydrophobicContact CG1-CG 3.57Å; L572-L647 HydrophobicContact CB-CD2 4.47Å; A573-L647 HydrophobicContact CB-CD2 3.73Å; A581-L647 HydrophobicContact CB-CD1 4.46Å; M643-L647 HydrophobicContact CB-CD1 4.24Å; M643-L647 HydrophobicContact CE-CD1 3.87Å; M643-L647 HydrophobicContact CG-CD1 4.27Å; M643-L647 VanDerWaalsContact O-CB 3.27Å; M643-L647 WeakPolarHBondContact O-CB 3.47Å; M643-L647 WeakPolarHBondContact O-CG 3.47Å; M643-L647 PolarHBondContact O-N 3.02Å; M643-L647 VanDerWaalsContact O-N 3.07Å; L647-L652 HydrophobicContact CB-CD1 4.08Å; L647-L652 HydrophobicContact CB-CD2 4.23Å; L647-L652 HydrophobicContact CB-CG 3.9Å; L647-L652 HydrophobicContact CD1-CD2 3.71Å; L647-L652 HydrophobicContact CD1-CG 4.31Å
648E81.7Confident83.8Confident134 Ų13462.9 Ų62.963%0.62632%0.319SS*.  trans-71.9148.5176.4-63.7179.516300111.4E650 Q651 L652E648-E650 PolarHBondContact O-N 2.98Å; E648-E650 VanDerWaalsContact O-N 3.14Å; E648-Q651 HydrophobicContact CB-CG 4.41Å; E648-Q651 WeakPolarHBondContact O-CB 3.4Å; E648-Q651 PolarHBondContact O-N 3.28Å; E648-L652 PolarHBondContact O-N 3.47Å
649Q75.9Confident83.7Confident169 Ų16962 Ų6279%0.7932%0.316SS*.Hα-helixtrans-58.8-30.7-178.2-68.7-177.9-10.900113Q651 L652 L653Q649-Q651 VanDerWaalsContact C-N 3.26Å; Q649-Q651 PolarHBondContact O-N 3.37Å; Q649-L652 PolarHBondContact O-N 3.49Å; Q649-L653 PolarHBondContact O-N 2.82Å
650E71.6Confident83.6Confident164 Ų16461.9 Ų61.977%0.76632%0.315SS*.Hα-helixtrans-69-21.5176-59-168.6-175.300113.3E648E648-E650 PolarHBondContact O-N 2.98Å; E648-E650 VanDerWaalsContact O-N 3.14Å
651Q76.1Confident83.4Confident43 Ų4362.6 Ų62.620%0.20132%0.319CS..Hα-helixtrans-88.3-36.2175-58.9-170.2-8.800112.3A573 E648 Q649A573-Q651 PolarHBondContact O-NE2 3.38Å; E648-Q651 HydrophobicContact CB-CG 4.41Å; E648-Q651 WeakPolarHBondContact O-CB 3.4Å; E648-Q651 PolarHBondContact O-N 3.28Å; Q649-Q651 VanDerWaalsContact C-N 3.26Å; Q649-Q651 PolarHBondContact O-N 3.37Å
652L80.3Confident83.4Confident11 Ų1163 Ų636%0.05831%0.313CS..Hα-helixtrans-77-36.2-179.8-74.6172.4000113.6G582 F585 M643 L647 E648 Q649G582-L652 WeakPolarHBondContact CA-O 3.37Å; F585-L652 HydrophobicContact CB-CD2 3.77Å; F585-L652 HydrophobicContact CD1-CD2 4.17Å; F585-L652 HydrophobicContact CD2-CD2 4.24Å; F585-L652 HydrophobicContact CG-CD2 3.83Å; M643-L652 HydrophobicContact CE-CD2 4.14Å; L647-L652 HydrophobicContact CB-CD1 4.08Å; L647-L652 HydrophobicContact CB-CD2 4.23Å; L647-L652 HydrophobicContact CB-CG 3.9Å; L647-L652 HydrophobicContact CD1-CD2 3.71Å; L647-L652 HydrophobicContact CD1-CG 4.31Å; E648-L652 PolarHBondContact O-N 3.47Å; Q649-L652 PolarHBondContact O-N 3.49Å
653L83.4Confident83.3Confident48 Ų4862.6 Ų62.625%0.25131%0.311SS..SBendtrans-130.448.5-171-66.5178.3000112.1Q649 K655 Q658 V659 F662Q649-L653 PolarHBondContact O-N 2.82Å; L653-K655 VanDerWaalsContact C-N 3.34Å; L653-K655 PolarHBondContact O-N 3.33Å; L653-Q658 HydrophobicContact CD2-CB 4.35Å; L653-V659 HydrophobicContact CB-CG2 4.02Å; L653-F662 HydrophobicContact CD2-CB 3.94Å; L653-F662 HydrophobicContact CD2-CG 4.34Å
654R80.6Confident83.2Confident121 Ų12163.2 Ų63.246%0.45731%0.314SS..  trans-63.8-32.6-174.2-167-175.2-168153.19.7114.2T576 D577 S578T576-R654 VanDerWaalsContact O-CZ 3.25Å; T576-R654 PolarHBondContact O-NH1 2.91Å; T576-R654 PolarHBondContact O-NH2 3.2Å; T576-R654 VanDerWaalsContact O-NH2 3.1Å; D577-R654 IonicContact OD1-NH2 2.75Å; S578-R654 PolarHBondContact O-NH1 3.09Å
655K81.1Confident83.1Confident98 Ų9859.1 Ų59.143%0.42629%0.29SS..SBendtrans-113146.3-174-72.8176.5169.2166.70112.9D579 L653 S657 Q658 V659D579-K655 VanDerWaalsContact OD1-CD 3.25Å; D579-K655 WeakPolarHBondContact OD1-CD 3.38Å; D579-K655 WeakPolarHBondContact OD1-CE 3.45Å; D579-K655 IonicContact OD1-NZ 3.09Å; D579-K655 PolarHBondContact OD1-NZ 2.93Å; D579-K655 VanDerWaalsContact OD1-NZ 3.09Å; D579-K655 IonicContact OD2-NZ 2.64Å; D579-K655 PolarHBondContact OD2-NZ 3.27Å; L653-K655 VanDerWaalsContact C-N 3.34Å; L653-K655 PolarHBondContact O-N 3.33Å; K655-S657 WeakPolarHBondContact CB-OG 3.48Å; K655-S657 PolarHBondContact O-N 2.63Å; K655-S657 VanDerWaalsContact O-N 3.14Å; K655-Q658 HydrophobicContact CB-CB 4.47Å; K655-Q658 HydrophobicContact CB-CG 4.22Å; K655-Q658 VanDerWaalsContact N-OE1 3.17Å; K655-Q658 WeakPolarHBondContact O-CB 3.23Å; K655-Q658 PolarHBondContact O-N 2.61Å; K655-V659 PolarHBondContact O-N 3.5Å
656T82.1Confident83Confident48 Ų4852.4 Ų52.429%0.29426%0.259SS..Hα-helixtrans-52.3-37.1171.1-33.10000112.2V659 V660 L699 D709 M713T656-V659 PolarHBondContact O-N 3.02Å; T656-V660 WeakPolarHBondContact O-CB 3.18Å; T656-V660 VanDerWaalsContact O-CG2 3.29Å; T656-V660 WeakPolarHBondContact O-CG2 3.3Å; T656-V660 PolarHBondContact O-N 2.68Å; T656-L699 HydrophobicContact CG2-CD2 4.37Å; T656-D709 VanDerWaalsContact CB-OD1 3.25Å; T656-D709 WeakPolarHBondContact CB-OD1 3.41Å; T656-D709 HydrophobicContact CG2-CB 4.42Å; T656-D709 WeakPolarHBondContact CG2-OD1 3.5Å; T656-D709 PolarHBondContact OG1-OD1 3.21Å; T656-M713 HydrophobicContact CG2-CE 4.18Å
657S84Confident83.1Confident41 Ų4149.2 Ų49.229%0.28724%0.236SC..Hα-helixtrans-61.8-43.6175.354.50000112.4K655 V660 D661K655-S657 WeakPolarHBondContact CB-OG 3.48Å; K655-S657 PolarHBondContact O-N 2.63Å; K655-S657 VanDerWaalsContact O-N 3.14Å; S657-V660 PolarHBondContact O-N 3.48Å; S657-D661 WeakPolarHBondContact O-CB 3.47Å; S657-D661 PolarHBondContact O-N 3.28Å; S657-D661 VanDerWaalsContact O-OD2 3.12Å
658Q86.6Confident83.1Confident3 Ų352.7 Ų52.71%0.01425%0.252CS..Hα-helixtrans-67.2-40.2178.1-68.8174.1-40.900111.7D579 D583 L586 L653 K655 V660 D661 F662D579-Q658 PolarHBondContact O-NE2 2.95Å; D579-Q658 VanDerWaalsContact O-NE2 3.15Å; D583-Q658 PolarHBondContact OD1-NE2 3.45Å; L586-Q658 HydrophobicContact CD1-CB 3.83Å; L586-Q658 HydrophobicContact CD1-CG 3.84Å; L653-Q658 HydrophobicContact CD2-CB 4.35Å; K655-Q658 HydrophobicContact CB-CB 4.47Å; K655-Q658 HydrophobicContact CB-CG 4.22Å; K655-Q658 VanDerWaalsContact N-OE1 3.17Å; K655-Q658 WeakPolarHBondContact O-CB 3.23Å; K655-Q658 PolarHBondContact O-N 2.61Å; Q658-V660 VanDerWaalsContact C-N 3.31Å; Q658-V660 PolarHBondContact O-N 3.34Å; Q658-D661 PolarHBondContact O-N 3.49Å; Q658-F662 WeakPolarHBondContact O-CB 3.29Å; Q658-F662 PolarHBondContact O-N 2.88Å
659V85.8Confident83Confident20 Ų2050.2 Ų50.212%0.12124%0.237CC..Hα-helixtrans-62.4-40.3172.9-176.50000111.1L653 K655 T656 M663 L695 L699L653-V659 HydrophobicContact CB-CG2 4.02Å; K655-V659 PolarHBondContact O-N 3.5Å; T656-V659 PolarHBondContact O-N 3.02Å; V659-M663 WeakPolarHBondContact O-CB 3.39Å; V659-M663 WeakPolarHBondContact O-CG 3.45Å; V659-M663 PolarHBondContact O-N 2.92Å; V659-L695 HydrophobicContact CG1-CD2 3.76Å; V659-L695 HydrophobicContact CG1-CG 4.48Å; V659-L699 HydrophobicContact CB-CD1 4.44Å; V659-L699 HydrophobicContact CG1-CD1 3.73Å
660V86Confident83.1Confident2 Ų243.7 Ų43.71%0.01221%0.212CC..Hα-helixtrans-65.7-44174.9167.10000111.5T656 S657 Q658 M663 V664 C712 M713 L716T656-V660 WeakPolarHBondContact O-CB 3.18Å; T656-V660 VanDerWaalsContact O-CG2 3.29Å; T656-V660 WeakPolarHBondContact O-CG2 3.3Å; T656-V660 PolarHBondContact O-N 2.68Å; S657-V660 PolarHBondContact O-N 3.48Å; Q658-V660 VanDerWaalsContact C-N 3.31Å; Q658-V660 PolarHBondContact O-N 3.34Å; V660-M663 CarbonylContact O-C 3.54Å; V660-M663 PolarHBondContact O-N 2.8Å; V660-V664 HydrophobicContact CG1-CG2 4.36Å; V660-V664 VanDerWaalsContact O-CG2 3.31Å; V660-V664 WeakPolarHBondContact O-CG2 3.25Å; V660-V664 PolarHBondContact O-N 3.35Å; V660-C712 WeakPolarHBondContact CG1-O 3.38Å; V660-M713 HydrophobicContact CG2-CG 3.69Å; V660-L716 HydrophobicContact CG1-CD1 4.23Å; V660-L716 HydrophobicContact CG1-CG 4.15Å; V660-L716 HydrophobicContact CG2-CD1 4.5Å
661D86Confident83.3Confident31 Ų3136.9 Ų36.917%0.16618%0.183CC..Hα-helixtrans-71.6-31-179.7-76.6-51.2000112.9L586 S657 Q658 V664 S665 K715L586-D661 HydrophobicContact CD1-CB 4.1Å; L586-D661 HydrophobicContact CD2-CB 4.29Å; S657-D661 WeakPolarHBondContact O-CB 3.47Å; S657-D661 PolarHBondContact O-N 3.28Å; S657-D661 VanDerWaalsContact O-OD2 3.12Å; Q658-D661 PolarHBondContact O-N 3.49Å; D661-V664 PolarHBondContact O-N 3.07Å; D661-S665 PolarHBondContact O-N 3.33Å; D661-S665 PolarHBondContact O-OG 2.88Å; D661-K715 WeakPolarHBondContact OD1-CD 3.38Å; D661-K715 WeakPolarHBondContact OD1-CE 3.24Å; D661-K715 IonicContact OD1-NZ 2.63Å; D661-K715 PolarHBondContact OD1-NZ 3.33Å; D661-K715 IonicContact OD2-NZ 2.7Å; D661-K715 PolarHBondContact OD2-NZ 3.19Å
662F88.1Confident83.1Confident51 Ų5136.3 Ų36.322%0.22418%0.182CC..Hα-helixtrans-60.6-48.9165.9173.6-95.8000110.5F585 L586 L589 L653 Q658 V664 S665 L666F585-F662 AromaticContact CE1-CD2 3.89Å; F585-F662 HydrophobicContact CE1-CD2 3.89Å; F585-F662 HydrophobicContact CE1-CE2 4.05Å; F585-F662 HydrophobicContact CZ-CE2 4.29Å; L586-F662 VanDerWaalsContact CD2-CA 3.49Å; L586-F662 HydrophobicContact CD2-CB 3.76Å; L586-F662 VanDerWaalsContact CD2-N 3.27Å; L589-F662 HydrophobicContact CD1-CD2 3.54Å; L589-F662 HydrophobicContact CD1-CE2 3.79Å; L653-F662 HydrophobicContact CD2-CB 3.94Å; L653-F662 HydrophobicContact CD2-CG 4.34Å; Q658-F662 WeakPolarHBondContact O-CB 3.29Å; Q658-F662 PolarHBondContact O-N 2.88Å; F662-V664 PolarHBondContact O-N 2.95Å; F662-S665 PolarHBondContact O-N 3.18Å; F662-L666 HydrophobicContact CE1-CD2 4.31Å; F662-L666 WeakPolarHBondContact O-CB 3.34Å; F662-L666 PolarHBondContact O-N 3.4Å
663M87.3Confident82.3Confident1 Ų138.7 Ų38.71%0.00521%0.209CC..Hα-helixtrans-64.5-38.8177.6-76.8-56.1-44.100112.4V659 V660 S665 L666 L667 G692 L695 V696 L716V659-M663 WeakPolarHBondContact O-CB 3.39Å; V659-M663 WeakPolarHBondContact O-CG 3.45Å; V659-M663 PolarHBondContact O-N 2.92Å; V660-M663 CarbonylContact O-C 3.54Å; V660-M663 PolarHBondContact O-N 2.8Å; M663-S665 VanDerWaalsContact C-N 3.34Å; M663-S665 PolarHBondContact O-N 3.02Å; M663-L666 HydrophobicContact CE-CD2 4.07Å; M663-L666 PolarHBondContact O-N 2.73Å; M663-L666 HydrophobicContact SD-CD2 4.04Å; M663-L667 HydrophobicContact CE-CD2 3.95Å; M663-L667 HydrophobicContact CE-CG 4.02Å; M663-L667 WeakPolarHBondContact O-CB 3.34Å; M663-L667 WeakPolarHBondContact O-CG 3.44Å; M663-L667 PolarHBondContact O-N 3.11Å; M663-G692 WeakPolarHBondContact CE-O 3.39Å; M663-L695 HydrophobicContact SD-CD2 4.42Å; M663-V696 HydrophobicContact CB-CG2 4.21Å; M663-V696 HydrophobicContact CE-CG2 3.95Å; M663-V696 HydrophobicContact CG-CG2 3.82Å; M663-V696 HydrophobicContact SD-CG2 4.35Å; M663-L716 HydrophobicContact CB-CD2 3.77Å
664V86.8Confident81.4Confident13 Ų1338.2 Ų38.28%0.07921%0.206CC..Hα-helixtrans-57.1-49.9172.8168.60000110V660 D661 F662 L666 L667 Q668 K715 L716V660-V664 HydrophobicContact CG1-CG2 4.36Å; V660-V664 VanDerWaalsContact O-CG2 3.31Å; V660-V664 WeakPolarHBondContact O-CG2 3.25Å; V660-V664 PolarHBondContact O-N 3.35Å; D661-V664 PolarHBondContact O-N 3.07Å; F662-V664 PolarHBondContact O-N 2.95Å; V664-L666 PolarHBondContact O-N 2.88Å; V664-L667 PolarHBondContact O-N 3.16Å; V664-Q668 HydrophobicContact CG1-CG 4.28Å; V664-Q668 VanDerWaalsContact O-CB 3.27Å; V664-Q668 WeakPolarHBondContact O-CB 3.36Å; V664-Q668 WeakPolarHBondContact O-CG 3.37Å; V664-Q668 PolarHBondContact O-N 3.06Å; V664-K715 HydrophobicContact CG2-CB 3.59Å; V664-L716 HydrophobicContact CB-CD2 4.42Å; V664-L716 HydrophobicContact CG2-CD2 3.62Å; V664-L716 HydrophobicContact CG2-CG 4.13Å
665S85.4Confident80.2Confident2 Ų238.8 Ų38.81%0.01422%0.219CC..Hα-helixtrans-61.9-43.8179.9-51.10000112D661 F662 M663 Q668 R669D661-S665 PolarHBondContact O-N 3.33Å; D661-S665 PolarHBondContact O-OG 2.88Å; F662-S665 PolarHBondContact O-N 3.18Å; M663-S665 VanDerWaalsContact C-N 3.34Å; M663-S665 PolarHBondContact O-N 3.02Å; S665-Q668 PolarHBondContact O-N 2.91Å; S665-R669 WeakPolarHBondContact O-CB 3.38Å; S665-R669 PolarHBondContact O-N 3.27Å
666L85.9Confident78.8Confident21 Ų2136.3 Ų36.311%0.1122%0.221CC..Hα-helixtrans-63.4-47.7177.4-177.965.9000112.3F662 M663 V664 A670 T688F662-L666 HydrophobicContact CE1-CD2 4.31Å; F662-L666 WeakPolarHBondContact O-CB 3.34Å; F662-L666 PolarHBondContact O-N 3.4Å; M663-L666 HydrophobicContact CE-CD2 4.07Å; M663-L666 PolarHBondContact O-N 2.73Å; M663-L666 HydrophobicContact SD-CD2 4.04Å; V664-L666 PolarHBondContact O-N 2.88Å; L666-A670 PolarHBondContact O-N 2.71Å; L666-A670 VanDerWaalsContact O-N 3.16Å; L666-T688 HydrophobicContact CD1-CG2 4.17Å
667L85.1Confident76.7Confident0 Ų038.5 Ų38.50%024%0.244CC..Hα-helixtrans-66.8-39178.5-63.4-176.8000111.3M663 V664 A670 C671 L689 M693 L716 P719 L720 L723M663-L667 HydrophobicContact CE-CD2 3.95Å; M663-L667 HydrophobicContact CE-CG 4.02Å; M663-L667 WeakPolarHBondContact O-CB 3.34Å; M663-L667 WeakPolarHBondContact O-CG 3.44Å; M663-L667 PolarHBondContact O-N 3.11Å; V664-L667 PolarHBondContact O-N 3.16Å; L667-A670 PolarHBondContact O-N 2.72Å; L667-C671 PolarHBondContact O-N 3.36Å; L667-C671 PolarHBondContact O-SG 2.89Å; L667-L689 HydrophobicContact CD2-CD1 3.43Å; L667-L689 VanDerWaalsContact CD2-CD1 3.43Å; L667-M693 HydrophobicContact CD2-CE 4.03Å; L667-M693 HydrophobicContact CD2-CG 4.43Å; L667-L716 HydrophobicContact CD1-CD2 3.88Å; L667-P719 HydrophobicContact CB-CB 3.52Å; L667-P719 HydrophobicContact CD1-CB 4.14Å; L667-L720 HydrophobicContact CD1-CD2 3.68Å; L667-L720 HydrophobicContact CD1-CG 3.88Å; L667-L723 HydrophobicContact CB-CD1 4Å; L667-L723 HydrophobicContact CD2-CD1 3.67Å; L667-L723 HydrophobicContact CG-CD1 4.28Å
668Q84.4Confident74.7Confident85 Ų8543.4 Ų43.440%0.39728%0.275SS..Hα-helixtrans-62.9-46.7177-78.8174.1-24.100111.9T593 V664 S665 A670 C671 V672 P719T593-Q668 HydrophobicContact CG2-CB 4.01Å; V664-Q668 HydrophobicContact CG1-CG 4.28Å; V664-Q668 VanDerWaalsContact O-CB 3.27Å; V664-Q668 WeakPolarHBondContact O-CB 3.36Å; V664-Q668 WeakPolarHBondContact O-CG 3.37Å; V664-Q668 PolarHBondContact O-N 3.06Å; S665-Q668 PolarHBondContact O-N 2.91Å; Q668-A670 PolarHBondContact O-N 2.96Å; Q668-C671 WeakPolarHBondContact O-CA 3.3Å; Q668-C671 WeakPolarHBondContact O-CB 3.16Å; Q668-C671 PolarHBondContact O-N 3.37Å; Q668-V672 PolarHBondContact O-N 2.93Å; Q668-P719 HydrophobicContact CG-CB 4.41Å; Q668-P719 HydrophobicContact CG-CG 3.77Å
669R80.1Confident72.5Confident83 Ų8346.1 Ų46.131%0.31330%0.304SS..Hα-helixtrans-61.9-34.2176.5-167.5169.464.1-135.32.7112.3T593 A596 S665 C671 V672T593-R669 HydrophobicContact CG2-CB 3.97Å; A596-R669 HydrophobicContact CB-CG 4.14Å; S665-R669 WeakPolarHBondContact O-CB 3.38Å; S665-R669 PolarHBondContact O-N 3.27Å; R669-C671 VanDerWaalsContact C-N 3.3Å; R669-C671 PolarHBondContact O-N 2.96Å; R669-V672 PolarHBondContact O-N 2.98Å
670A78.3Confident70.4Confident31 Ų3152.2 Ų52.226%0.25634%0.34SS..Hα-helixtrans-73.5-14.8172.400000114.4L666 L667 Q668 L689 L723L666-A670 PolarHBondContact O-N 2.71Å; L666-A670 VanDerWaalsContact O-N 3.16Å; L667-A670 PolarHBondContact O-N 2.72Å; Q668-A670 PolarHBondContact O-N 2.96Å; A670-L689 HydrophobicContact CB-CD1 3.85Å; A670-L689 HydrophobicContact CB-CD2 4.12Å; A670-L723 HydrophobicContact CB-CD2 4.31Å
671C76.1Confident68.6Low22 Ų2255.1 Ų55.115%0.14937%0.371CS..Hα-helixtrans-81.1-36.8170.9-61.40000111.9L667 Q668 R669 G673 L674 A722L667-C671 PolarHBondContact O-N 3.36Å; L667-C671 PolarHBondContact O-SG 2.89Å; Q668-C671 WeakPolarHBondContact O-CA 3.3Å; Q668-C671 WeakPolarHBondContact O-CB 3.16Å; Q668-C671 PolarHBondContact O-N 3.37Å; R669-C671 VanDerWaalsContact C-N 3.3Å; R669-C671 PolarHBondContact O-N 2.96Å; C671-G673 PolarHBondContact O-N 2.77Å; C671-L674 WeakPolarHBondContact O-CB 3.42Å; C671-L674 PolarHBondContact O-N 3.38Å; C671-L674 VanDerWaalsContact O-N 3.16Å; C671-A722 HydrophobicContact CB-CB 4.4Å
672V72.3Confident67.1Low31 Ų3156.5 Ų56.519%0.18838%0.378CS..Hα-helixtrans-55.6-50.2-178.4172.90000111.1A597 Q668 R669 L674 D675A597-V672 HydrophobicContact CB-CG1 4.14Å; A597-V672 HydrophobicContact CB-CG2 3.95Å; Q668-V672 PolarHBondContact O-N 2.93Å; R669-V672 PolarHBondContact O-N 2.98Å; V672-L674 PolarHBondContact O-N 3.03Å; V672-D675 PolarHBondContact O-N 3.4Å
673G63.6Low65.6Low61 Ų6158.2 Ų58.263%0.62940%0.395SS*.THydrogen-bonded Turntrans-6811.2-18000000116.2C671C671-G673 PolarHBondContact O-N 2.77Å
674L64.5Low64.1Low37 Ų3762.3 Ų62.319%0.19442%0.42CS..THydrogen-bonded Turntrans-102.2-15.6177.1-60.8179.2000114C671 V672 G676 L723 Q726 H727C671-L674 WeakPolarHBondContact O-CB 3.42Å; C671-L674 PolarHBondContact O-N 3.38Å; C671-L674 VanDerWaalsContact O-N 3.16Å; V672-L674 PolarHBondContact O-N 3.03Å; L674-G676 VanDerWaalsContact C-N 3.34Å; L674-L723 HydrophobicContact CD1-CD2 3.95Å; L674-Q726 HydrophobicContact CB-CB 4.36Å; L674-Q726 HydrophobicContact CD1-CB 3.89Å; L674-H727 HydrophobicContact CD1-CB 4.19Å
675D54.9Low63.3Low133 Ų13367.5 Ų67.571%0.71144%0.443SS*.SBendtrans-87.5-5.5178.1-69.5-33.6000112.7V672 Q726V672-D675 PolarHBondContact O-N 3.4Å; D675-Q726 PolarHBondContact OD1-NE2 3.11Å
676G50.6Low62.7Low46 Ų4668.8 Ų68.847%0.47445%0.452SS..SBendtrans-79.6164.1174.700000114.8L674L674-G676 VanDerWaalsContact C-N 3.34Å
677A39.6Very low62.3Low95 Ų9574 Ų7479%0.78548%0.476SS*.  trans-63.8146.7179.500000112.3G679A677-G679 PolarHBondContact O-N 2.8Å
678P42.3Very low62Low143 Ų14377.2 Ų77.293%0.92950%0.495SS*.  trans-73.682.2-167.729.6-37000113.6
679G39.8Very low62Low60 Ų6073.4 Ų73.462%0.61948%0.478SS*.  trans-122.1108.8178.600000113A677A677-G679 PolarHBondContact O-N 2.8Å
680V41.8Very low62Low148 Ų14871.6 Ų71.690%0.89748%0.478SS*.  trans42.375.4163.5-165.50000115N682V680-N682 PolarHBondContact O-N 3.3Å
681G47.7Very low62.2Low63 Ų6376.8 Ų76.865%0.64950%0.498SS*.  trans-54.7128.3174.100000112.5P683G681-P683 WeakPolarHBondContact O-CD 3.42Å
682N55.3Low62.5Low61 Ų6176 Ų7633%0.32649%0.494SS..  trans-71.7118.6-175-179.51.9000110.9V680 V684 E685 S686V680-N682 PolarHBondContact O-N 3.3Å; N682-V684 PolarHBondContact O-N 3.2Å; N682-V684 WeakPolarHBondContact OD1-CB 3.4Å; N682-V684 PolarHBondContact OD1-N 3.33Å; N682-V684 VanDerWaalsContact OD1-N 3.13Å; N682-E685 HydrophobicContact CB-CB 4.33Å; N682-E685 HydrophobicContact CB-CG 4.18Å; N682-E685 WeakPolarHBondContact CB-OE1 3.49Å; N682-E685 PolarHBondContact ND2-OE1 3.48Å; N682-E685 PolarHBondContact O-N 2.85Å; N682-E685 VanDerWaalsContact O-N 3.12Å; N682-S686 PolarHBondContact O-N 3.02Å
683P55.8Low63Low87 Ų8774.5 Ų74.557%0.56549%0.485SS*.Hα-helixtrans-64.5-23.9-177.526.3-34.8000112.9G681 Q687G681-P683 WeakPolarHBondContact O-CD 3.42Å; P683-Q687 WeakPolarHBondContact O-CB 3.29Å; P683-Q687 WeakPolarHBondContact O-CG 3.13Å; P683-Q687 PolarHBondContact O-N 3.35Å; P683-Q687 VanDerWaalsContact O-N 3.09Å
684V55.3Low63.9Low87 Ų8772.7 Ų72.753%0.52747%0.466SS..Hα-helixtrans-67.6-37.3176.7-175.70000111.3N682 T688N682-V684 PolarHBondContact O-N 3.2Å; N682-V684 WeakPolarHBondContact OD1-CB 3.4Å; N682-V684 PolarHBondContact OD1-N 3.33Å; N682-V684 VanDerWaalsContact OD1-N 3.13Å; V684-T688 WeakPolarHBondContact O-CB 3.22Å; V684-T688 PolarHBondContact O-N 3.27Å; V684-T688 PolarHBondContact O-OG1 3.07Å
685E70.4Confident64.7Low121 Ų12174 Ų7457%0.56547%0.473SS*.Hα-helixtrans-70-46.3178.1-75.6155.8-145.800111.2N682 Q687 T688 L689N682-E685 HydrophobicContact CB-CB 4.33Å; N682-E685 HydrophobicContact CB-CG 4.18Å; N682-E685 WeakPolarHBondContact CB-OE1 3.49Å; N682-E685 PolarHBondContact ND2-OE1 3.48Å; N682-E685 PolarHBondContact O-N 2.85Å; N682-E685 VanDerWaalsContact O-N 3.12Å; E685-Q687 VanDerWaalsContact C-N 3.3Å; E685-Q687 PolarHBondContact O-N 2.9Å; E685-T688 PolarHBondContact O-N 3.23Å; E685-L689 WeakPolarHBondContact O-CB 3.36Å; E685-L689 PolarHBondContact O-N 3.08Å
686S73.9Confident66Low30 Ų3067.8 Ų67.821%0.2144%0.44CS..Hα-helixtrans-60.9-37.8175.9-66.90000112.4N682 S690N682-S686 PolarHBondContact O-N 3.02Å; S686-S690 VanDerWaalsContact O-CB 3.32Å; S686-S690 WeakPolarHBondContact O-CB 3.2Å; S686-S690 PolarHBondContact O-N 3.26Å
687Q76.2Confident67.5Low131 Ų13165.6 Ų65.661%0.61242%0.418SS*.Hα-helixtrans-67.4-45.2173.4-74.7-179.13.500112.4P683 E685 L689 S690 M691P683-Q687 WeakPolarHBondContact O-CB 3.29Å; P683-Q687 WeakPolarHBondContact O-CG 3.13Å; P683-Q687 PolarHBondContact O-N 3.35Å; P683-Q687 VanDerWaalsContact O-N 3.09Å; E685-Q687 VanDerWaalsContact C-N 3.3Å; E685-Q687 PolarHBondContact O-N 2.9Å; Q687-L689 VanDerWaalsContact C-N 3.31Å; Q687-L689 PolarHBondContact O-N 3.11Å; Q687-S690 PolarHBondContact O-N 2.96Å; Q687-M691 WeakPolarHBondContact O-CB 3.46Å; Q687-M691 WeakPolarHBondContact O-CG 3.4Å; Q687-M691 PolarHBondContact O-N 3.15Å
688T80Confident69.5Low66 Ų6664.1 Ų64.141%0.40540%0.399SS..Hα-helixtrans-62.7-40.3177.8-60.70000111.3L666 V684 E685 M691 G692L666-T688 HydrophobicContact CD1-CG2 4.17Å; V684-T688 WeakPolarHBondContact O-CB 3.22Å; V684-T688 PolarHBondContact O-N 3.27Å; V684-T688 PolarHBondContact O-OG1 3.07Å; E685-T688 PolarHBondContact O-N 3.23Å; T688-M691 PolarHBondContact O-N 3.06Å; T688-G692 PolarHBondContact O-N 3.32Å
689L82.8Confident71.3Confident5 Ų559.4 Ų59.43%0.02637%0.366CS..Hα-helixtrans-64.4-45.8176.9-172.659.4000111.6L667 A670 E685 Q687 G692 M693 L723 V732L667-L689 HydrophobicContact CD2-CD1 3.43Å; L667-L689 VanDerWaalsContact CD2-CD1 3.43Å; A670-L689 HydrophobicContact CB-CD1 3.85Å; A670-L689 HydrophobicContact CB-CD2 4.12Å; E685-L689 WeakPolarHBondContact O-CB 3.36Å; E685-L689 PolarHBondContact O-N 3.08Å; Q687-L689 VanDerWaalsContact C-N 3.31Å; Q687-L689 PolarHBondContact O-N 3.11Å; L689-G692 PolarHBondContact O-N 2.8Å; L689-M693 HydrophobicContact CD1-CE 4.09Å; L689-M693 HydrophobicContact CG-CE 4.05Å; L689-M693 WeakPolarHBondContact O-CG 3.41Å; L689-M693 PolarHBondContact O-N 3.24Å; L689-L723 HydrophobicContact CD1-CD1 4.01Å; L689-L723 HydrophobicContact CD2-CD1 4.48Å; L689-L723 HydrophobicContact CD2-CD2 4.21Å; L689-V732 HydrophobicContact CD2-CG1 3.59Å; L689-V732 HydrophobicContact CG-CG1 4.15Å
690S81.6Confident73Confident46 Ų4656.9 Ų56.932%0.32234%0.338SS..Hα-helixtrans-62.9-42.3174.9-175.40000112.4S686 Q687 G692 M693 G694S686-S690 VanDerWaalsContact O-CB 3.32Å; S686-S690 WeakPolarHBondContact O-CB 3.2Å; S686-S690 PolarHBondContact O-N 3.26Å; Q687-S690 PolarHBondContact O-N 2.96Å; S690-G692 PolarHBondContact O-N 3.36Å; S690-M693 PolarHBondContact O-N 2.88Å; S690-G694 PolarHBondContact O-N 3.44Å
691M82Confident74.5Confident139 Ų13953 Ų5369%0.68532%0.317SS*.Hα-helixtrans-61.9-40.7173.4-74.117964.100112.4Q687 T688 G694 L695Q687-M691 WeakPolarHBondContact O-CB 3.46Å; Q687-M691 WeakPolarHBondContact O-CG 3.4Å; Q687-M691 PolarHBondContact O-N 3.15Å; T688-M691 PolarHBondContact O-N 3.06Å; M691-G694 PolarHBondContact O-N 3.46Å; M691-L695 PolarHBondContact O-N 3.34Å
692G82.2Confident75.8Confident6 Ų651.9 Ų51.96%0.06230%0.302CS..Hα-helixtrans-65.5-43.1174.700000112.8M663 T688 L689 S690 G694 L695 V696M663-G692 WeakPolarHBondContact CE-O 3.39Å; T688-G692 PolarHBondContact O-N 3.32Å; L689-G692 PolarHBondContact O-N 2.8Å; S690-G692 PolarHBondContact O-N 3.36Å; G692-G694 VanDerWaalsContact C-N 3.29Å; G692-G694 PolarHBondContact O-N 2.91Å; G692-L695 WeakPolarHBondContact O-CB 3.34Å; G692-L695 PolarHBondContact O-N 3.05Å; G692-L695 VanDerWaalsContact O-N 3.08Å; G692-V696 PolarHBondContact O-N 3.17Å; G692-V696 VanDerWaalsContact O-N 3.09Å
693M83.3Confident76Confident0 Ų055.5 Ų55.50%033%0.329CS..Hα-helixtrans-61.1-38.3172.3-73.9-176.4-176.200111.9L667 L689 S690 L695 V696 A697 L720 L723 V732 L735 A736 L739L667-M693 HydrophobicContact CD2-CE 4.03Å; L667-M693 HydrophobicContact CD2-CG 4.43Å; L689-M693 HydrophobicContact CD1-CE 4.09Å; L689-M693 HydrophobicContact CG-CE 4.05Å; L689-M693 WeakPolarHBondContact O-CG 3.41Å; L689-M693 PolarHBondContact O-N 3.24Å; S690-M693 PolarHBondContact O-N 2.88Å; M693-L695 VanDerWaalsContact C-N 3.32Å; M693-L695 PolarHBondContact O-N 2.92Å; M693-V696 PolarHBondContact O-N 3.31Å; M693-A697 PolarHBondContact O-N 3.26Å; M693-L720 HydrophobicContact CE-CD2 4.28Å; M693-L723 HydrophobicContact CE-CB 4.35Å; M693-L723 HydrophobicContact CE-CD1 3.68Å; M693-V732 HydrophobicContact CE-CG1 3.73Å; M693-V732 HydrophobicContact SD-CG1 4.12Å; M693-L735 HydrophobicContact SD-CB 3.79Å; M693-A736 HydrophobicContact CE-CB 3.82Å; M693-A736 HydrophobicContact SD-CB 4.36Å; M693-L739 HydrophobicContact CB-CD1 3.68Å; M693-L739 HydrophobicContact CG-CD1 3.91Å
694G81.8Confident76.2Confident22 Ų2260.2 Ų60.223%0.22734%0.343CS..Hα-helixtrans-60.3-37.3170.700000113.4S690 M691 G692 A697 T698S690-G694 PolarHBondContact O-N 3.44Å; M691-G694 PolarHBondContact O-N 3.46Å; G692-G694 VanDerWaalsContact C-N 3.29Å; G692-G694 PolarHBondContact O-N 2.91Å; G694-A697 WeakPolarHBondContact O-CB 3.4Å; G694-A697 PolarHBondContact O-N 3.43Å; G694-T698 WeakPolarHBondContact O-CG2 3.33Å; G694-T698 PolarHBondContact O-N 3.06Å; G694-T698 PolarHBondContact O-OG1 3.15Å
695L82.3Confident77.1Confident64 Ų6457.9 Ų57.934%0.33533%0.327SS..Hα-helixtrans-65.8-39.2174.1-164.575.7000112V659 M663 M691 G692 M693 A697 T698 L699V659-L695 HydrophobicContact CG1-CD2 3.76Å; V659-L695 HydrophobicContact CG1-CG 4.48Å; M663-L695 HydrophobicContact SD-CD2 4.42Å; M691-L695 PolarHBondContact O-N 3.34Å; G692-L695 WeakPolarHBondContact O-CB 3.34Å; G692-L695 PolarHBondContact O-N 3.05Å; G692-L695 VanDerWaalsContact O-N 3.08Å; M693-L695 VanDerWaalsContact C-N 3.32Å; M693-L695 PolarHBondContact O-N 2.92Å; L695-A697 VanDerWaalsContact C-N 3.35Å; L695-T698 PolarHBondContact O-N 3.34Å; L695-T698 PolarHBondContact O-OG1 2.95Å; L695-L699 WeakPolarHBondContact O-CG 3.46Å; L695-L699 PolarHBondContact O-N 3.46Å; L695-L699 VanDerWaalsContact O-N 3.12Å
696V82.3Confident77.5Confident3 Ų354.4 Ų54.42%0.01832%0.317CS..Hα-helixtrans-67.3-37.6173-176.20000110.7M663 G692 M693 L699 L700 L716 L739 I743M663-V696 HydrophobicContact CB-CG2 4.21Å; M663-V696 HydrophobicContact CE-CG2 3.95Å; M663-V696 HydrophobicContact CG-CG2 3.82Å; M663-V696 HydrophobicContact SD-CG2 4.35Å; G692-V696 PolarHBondContact O-N 3.17Å; G692-V696 VanDerWaalsContact O-N 3.09Å; M693-V696 PolarHBondContact O-N 3.31Å; V696-L699 PolarHBondContact O-N 3.23Å; V696-L700 HydrophobicContact CG1-CD1 3.92Å; V696-L700 HydrophobicContact CG1-CG 4.44Å; V696-L700 WeakPolarHBondContact O-CB 3.4Å; V696-L700 VanDerWaalsContact O-CG 3.3Å; V696-L700 WeakPolarHBondContact O-CG 3.37Å; V696-L700 PolarHBondContact O-N 3.27Å; V696-L716 HydrophobicContact CG1-CD1 4Å; V696-L716 HydrophobicContact CG2-CD1 4.22Å; V696-L739 HydrophobicContact CB-CD1 4.37Å; V696-L739 HydrophobicContact CB-CD2 4.33Å; V696-L739 HydrophobicContact CG1-CD2 4.08Å; V696-I743 HydrophobicContact CG1-CD1 4.29Å
697A81.3Confident77.5Confident1 Ų157 Ų571%0.00834%0.339CS..Hα-helixtrans-63.5-40175.600000112.8M693 G694 L695 L700 S701 L739 L754M693-A697 PolarHBondContact O-N 3.26Å; G694-A697 WeakPolarHBondContact O-CB 3.4Å; G694-A697 PolarHBondContact O-N 3.43Å; L695-A697 VanDerWaalsContact C-N 3.35Å; A697-L700 PolarHBondContact O-N 3.19Å; A697-S701 WeakPolarHBondContact O-CB 3.45Å; A697-S701 PolarHBondContact O-N 2.68Å; A697-S701 PolarHBondContact O-OG 3.45Å; A697-L739 HydrophobicContact CB-CD2 4.06Å; A697-L754 HydrophobicContact CB-CD2 3.86Å
698T80.9Confident77.5Confident63 Ų6358 Ų5839%0.38735%0.345SS..Hα-helixtrans-70.9-38.2176.856.80000112.2G694 L695 L700 S701 A702 A758G694-T698 WeakPolarHBondContact O-CG2 3.33Å; G694-T698 PolarHBondContact O-N 3.06Å; G694-T698 PolarHBondContact O-OG1 3.15Å; L695-T698 PolarHBondContact O-N 3.34Å; L695-T698 PolarHBondContact O-OG1 2.95Å; T698-L700 VanDerWaalsContact C-N 3.35Å; T698-L700 PolarHBondContact O-N 2.96Å; T698-S701 WeakPolarHBondContact O-CB 3.28Å; T698-S701 PolarHBondContact O-N 2.9Å; T698-S701 VanDerWaalsContact O-N 3.1Å; T698-A702 PolarHBondContact O-N 2.97Å; T698-A758 HydrophobicContact CG2-CB 4.41Å
699L80.7Confident77.5Confident45 Ų4556.5 Ų56.524%0.23633%0.334CS..Hα-helixtrans-58.5-44.3170.5-73172.5000112T656 V659 L695 V696 S701 A702 I705 M713T656-L699 HydrophobicContact CG2-CD2 4.37Å; V659-L699 HydrophobicContact CB-CD1 4.44Å; V659-L699 HydrophobicContact CG1-CD1 3.73Å; L695-L699 WeakPolarHBondContact O-CG 3.46Å; L695-L699 PolarHBondContact O-N 3.46Å; L695-L699 VanDerWaalsContact O-N 3.12Å; V696-L699 PolarHBondContact O-N 3.23Å; L699-S701 PolarHBondContact O-N 3.1Å; L699-A702 WeakPolarHBondContact O-CB 3.43Å; L699-A702 PolarHBondContact O-N 3.08Å; L699-I705 WeakPolarHBondContact O-CD1 3.29Å; L699-M713 HydrophobicContact CB-CE 3.96Å
700L76.2Confident77.5Confident6 Ų657.3 Ų57.33%0.03134%0.337CS..THydrogen-bonded Turntrans-72.1-9.8176.6-69.3170.1000114.4V696 A697 T698 I705 Y710 M713 L739 V742 I743 R750V696-L700 HydrophobicContact CG1-CD1 3.92Å; V696-L700 HydrophobicContact CG1-CG 4.44Å; V696-L700 WeakPolarHBondContact O-CB 3.4Å; V696-L700 VanDerWaalsContact O-CG 3.3Å; V696-L700 WeakPolarHBondContact O-CG 3.37Å; V696-L700 PolarHBondContact O-N 3.27Å; A697-L700 PolarHBondContact O-N 3.19Å; T698-L700 VanDerWaalsContact C-N 3.35Å; T698-L700 PolarHBondContact O-N 2.96Å; L700-I705 WeakPolarHBondContact O-CD1 3.37Å; L700-Y710 HydrophobicContact CD2-CE1 3.95Å; L700-M713 HydrophobicContact CD2-CE 4.49Å; L700-M713 HydrophobicContact CD2-SD 3.59Å; L700-M713 VanDerWaalsContact CD2-SD 3.59Å; L700-M713 HydrophobicContact CG-SD 4.37Å; L700-L739 HydrophobicContact CD1-CD2 3.78Å; L700-V742 HydrophobicContact CB-CG1 4.28Å; L700-V742 HydrophobicContact CD1-CB 4.3Å; L700-V742 HydrophobicContact CD1-CG1 3.93Å; L700-V742 HydrophobicContact CD2-CG1 4.08Å; L700-V742 HydrophobicContact CG-CG1 4.33Å; L700-I743 HydrophobicContact CD1-CD1 4.24Å; L700-I743 HydrophobicContact CD1-CG1 3.8Å; L700-I743 HydrophobicContact CD2-CG1 4.07Å; L700-R750 PolarHBondContact O-NH2 3.27Å; L700-R750 VanDerWaalsContact O-NH2 3.07Å
701S72.9Confident77.5Confident66 Ų6658.4 Ų58.446%0.46234%0.344SS..THydrogen-bonded Turntrans-96.8-2.8175-59.10000113.2A697 T698 L699A697-S701 WeakPolarHBondContact O-CB 3.45Å; A697-S701 PolarHBondContact O-N 2.68Å; A697-S701 PolarHBondContact O-OG 3.45Å; T698-S701 WeakPolarHBondContact O-CB 3.28Å; T698-S701 PolarHBondContact O-N 2.9Å; T698-S701 VanDerWaalsContact O-N 3.1Å; L699-S701 PolarHBondContact O-N 3.1Å
702A74.5Confident77.6Confident40 Ų4053.4 Ų53.433%0.33132%0.322SS..  trans-62.7142.1177.500000111.7T698 L699 Q704 I705T698-A702 PolarHBondContact O-N 2.97Å; L699-A702 WeakPolarHBondContact O-CB 3.43Å; L699-A702 PolarHBondContact O-N 3.08Å; A702-Q704 VanDerWaalsContact C-N 3.26Å; A702-Q704 PolarHBondContact O-N 3.25Å; A702-I705 HydrophobicContact CB-CG1 4.02Å
703P58.9Low77.7Confident137 Ų13753.2 Ų53.289%0.8932%0.32SS*.SBendtrans-72.8-14.5-172.428.5-35.8000114.4
704Q61.1Low77.8Confident186 Ų18656.1 Ų56.187%0.86934%0.34SS*.  trans-142.398.1175.6-64.2-174.68.300109.2A702A702-Q704 VanDerWaalsContact C-N 3.26Å; A702-Q704 PolarHBondContact O-N 3.25Å
705I74.9Confident78Confident38 Ų3859.7 Ų59.720%0.19535%0.35CS..  trans-104.6127.3174.5-57.3165.2000107L699 L700 A702 D709 Y710L699-I705 WeakPolarHBondContact O-CD1 3.29Å; L700-I705 WeakPolarHBondContact O-CD1 3.37Å; A702-I705 HydrophobicContact CB-CG1 4.02Å; I705-D709 HydrophobicContact CG2-CB 3.72Å; I705-Y710 HydrophobicContact CB-CD2 4.39Å; I705-Y710 HydrophobicContact CB-CE2 3.85Å; I705-Y710 HydrophobicContact CD1-CE2 4.5Å; I705-Y710 HydrophobicContact CG2-CD2 3.61Å; I705-Y710 HydrophobicContact CG2-CE2 3.47Å; I705-Y710 VanDerWaalsContact CG2-CE2 3.47Å; I705-Y710 HydrophobicContact CG2-CG 4.32Å
706S77.3Confident78.3Confident49 Ų4956.7 Ų56.734%0.34333%0.334SS..  trans-80.2162.2-17980.20000112.1Q708 D709 Y710S706-Q708 PolarHBondContact O-N 2.85Å; S706-Q708 PolarHBondContact OG-N 3.04Å; S706-D709 WeakPolarHBondContact CA-OD2 3.25Å; S706-D709 WeakPolarHBondContact CB-OD2 3.36Å; S706-D709 PolarHBondContact N-OD2 3.31Å; S706-D709 PolarHBondContact O-N 3.24Å; S706-D709 PolarHBondContact OG-N 3.16Å; S706-D709 VanDerWaalsContact OG-N 3.07Å; S706-D709 PolarHBondContact OG-OD2 3.33Å; S706-Y710 WeakPolarHBondContact O-CD2 3.44Å; S706-Y710 PolarHBondContact O-N 2.98Å
707A75.4Confident78.5Confident83 Ų8358.5 Ų58.569%0.68634%0.343SS*.Hα-helixtrans-61.1-25.7170.500000112.5S711A707-S711 PolarHBondContact O-N 3.01Å; A707-S711 VanDerWaalsContact O-N 3.11Å
708Q75.6Confident78.9Confident154 Ų15468.3 Ų68.372%0.7238%0.38SS*.Hα-helixtrans-73.1-42.2174.9-69-179.8-17.600111.3S706 Y710 S711 C712S706-Q708 PolarHBondContact O-N 2.85Å; S706-Q708 PolarHBondContact OG-N 3.04Å; Q708-Y710 PolarHBondContact O-N 2.96Å; Q708-S711 WeakPolarHBondContact CA-OG 3.38Å; Q708-S711 WeakPolarHBondContact O-CA 3.41Å; Q708-S711 WeakPolarHBondContact O-CB 3.47Å; Q708-S711 PolarHBondContact O-N 3.36Å; Q708-S711 PolarHBondContact O-OG 2.79Å; Q708-C712 PolarHBondContact O-N 3.06Å; Q708-C712 PolarHBondContact O-SG 2.92Å
709D80.1Confident79.1Confident34 Ų3465.7 Ų65.718%0.18236%0.364CS..Hα-helixtrans-59.6-46.1175.9-60.4-68.8000111.2T656 I705 S706 S711 C712 M713T656-D709 VanDerWaalsContact CB-OD1 3.25Å; T656-D709 WeakPolarHBondContact CB-OD1 3.41Å; T656-D709 HydrophobicContact CG2-CB 4.42Å; T656-D709 WeakPolarHBondContact CG2-OD1 3.5Å; T656-D709 PolarHBondContact OG1-OD1 3.21Å; I705-D709 HydrophobicContact CG2-CB 3.72Å; S706-D709 WeakPolarHBondContact CA-OD2 3.25Å; S706-D709 WeakPolarHBondContact CB-OD2 3.36Å; S706-D709 PolarHBondContact N-OD2 3.31Å; S706-D709 PolarHBondContact O-N 3.24Å; S706-D709 PolarHBondContact OG-N 3.16Å; S706-D709 VanDerWaalsContact OG-N 3.07Å; S706-D709 PolarHBondContact OG-OD2 3.33Å; D709-S711 VanDerWaalsContact C-N 3.3Å; D709-S711 PolarHBondContact O-N 3.43Å; D709-C712 WeakPolarHBondContact O-CB 3.44Å; D709-C712 PolarHBondContact O-N 3.34Å; D709-M713 HydrophobicContact CB-CE 4.46Å; D709-M713 VanDerWaalsContact O-CG 3.29Å; D709-M713 WeakPolarHBondContact O-CG 3.19Å; D709-M713 PolarHBondContact O-N 3.45Å
710Y82.1Confident79.4Confident22 Ų2263.6 Ų63.69%0.08635%0.353CS..Hα-helixtrans-60.8-37.2173-82.8-71.9000112.8L700 I705 S706 Q708 C712 M713 S714 H746L700-Y710 HydrophobicContact CD2-CE1 3.95Å; I705-Y710 HydrophobicContact CB-CD2 4.39Å; I705-Y710 HydrophobicContact CB-CE2 3.85Å; I705-Y710 HydrophobicContact CD1-CE2 4.5Å; I705-Y710 HydrophobicContact CG2-CD2 3.61Å; I705-Y710 HydrophobicContact CG2-CE2 3.47Å; I705-Y710 VanDerWaalsContact CG2-CE2 3.47Å; I705-Y710 HydrophobicContact CG2-CG 4.32Å; S706-Y710 WeakPolarHBondContact O-CD2 3.44Å; S706-Y710 PolarHBondContact O-N 2.98Å; Q708-Y710 PolarHBondContact O-N 2.96Å; Y710-C712 VanDerWaalsContact C-N 3.32Å; Y710-C712 PolarHBondContact O-N 3.08Å; Y710-M713 PolarHBondContact O-N 3.41Å; Y710-S714 PolarHBondContact O-N 3.48Å; Y710-H746 WeakPolarHBondContact CB-ND1 3.45Å; Y710-H746 AromaticContact CD1-ND1 3.77Å; Y710-H746 AromaticContact CG-ND1 3.45Å; Y710-H746 PolarHBondContact OH-O 3.13Å
711S82.8Confident79.9Confident69 Ų6966.4 Ų66.448%0.48337%0.366SS..Hα-helixtrans-65.1-36.5176.2800000112.1A707 Q708 D709 S714A707-S711 PolarHBondContact O-N 3.01Å; A707-S711 VanDerWaalsContact O-N 3.11Å; Q708-S711 WeakPolarHBondContact CA-OG 3.38Å; Q708-S711 WeakPolarHBondContact O-CA 3.41Å; Q708-S711 WeakPolarHBondContact O-CB 3.47Å; Q708-S711 PolarHBondContact O-N 3.36Å; Q708-S711 PolarHBondContact O-OG 2.79Å; D709-S711 VanDerWaalsContact C-N 3.3Å; D709-S711 PolarHBondContact O-N 3.43Å; S711-S714 WeakPolarHBondContact O-CB 3.23Å; S711-S714 PolarHBondContact O-OG 2.82Å
712C82.7Confident80.5Confident33 Ų3364.3 Ų64.322%0.22335%0.352CS..Hα-helixtrans-65.8-49.8170.4-65.20000111.1V660 Q708 D709 Y710 S714 K715V660-C712 WeakPolarHBondContact CG1-O 3.38Å; Q708-C712 PolarHBondContact O-N 3.06Å; Q708-C712 PolarHBondContact O-SG 2.92Å; D709-C712 WeakPolarHBondContact O-CB 3.44Å; D709-C712 PolarHBondContact O-N 3.34Å; Y710-C712 VanDerWaalsContact C-N 3.32Å; Y710-C712 PolarHBondContact O-N 3.08Å; C712-S714 PolarHBondContact O-N 2.9Å; C712-S714 VanDerWaalsContact O-N 3.09Å; C712-K715 WeakPolarHBondContact O-CB 3.37Å; C712-K715 VanDerWaalsContact O-CG 3.27Å; C712-K715 WeakPolarHBondContact O-CG 3.29Å; C712-K715 PolarHBondContact O-N 3.22Å; C712-K715 VanDerWaalsContact O-N 3.09Å
713M85.2Confident81Confident3 Ų362.4 Ų62.42%0.01534%0.337CS..Hα-helixtrans-59.3-22-179.6-69.5170.8-176.600113.4T656 V660 L699 L700 D709 Y710 K715 L716 I743T656-M713 HydrophobicContact CG2-CE 4.18Å; V660-M713 HydrophobicContact CG2-CG 3.69Å; L699-M713 HydrophobicContact CB-CE 3.96Å; L700-M713 HydrophobicContact CD2-CE 4.49Å; L700-M713 HydrophobicContact CD2-SD 3.59Å; L700-M713 VanDerWaalsContact CD2-SD 3.59Å; L700-M713 HydrophobicContact CG-SD 4.37Å; D709-M713 HydrophobicContact CB-CE 4.46Å; D709-M713 VanDerWaalsContact O-CG 3.29Å; D709-M713 WeakPolarHBondContact O-CG 3.19Å; D709-M713 PolarHBondContact O-N 3.45Å; Y710-M713 PolarHBondContact O-N 3.41Å; M713-K715 PolarHBondContact O-N 3.34Å; M713-K715 VanDerWaalsContact O-N 3.11Å; M713-L716 HydrophobicContact CB-CD1 4.45Å; M713-L716 VanDerWaalsContact O-CB 3.32Å; M713-L716 WeakPolarHBondContact O-CB 3.5Å; M713-L716 PolarHBondContact O-N 3.27Å; M713-I743 HydrophobicContact CB-CD1 4.47Å; M713-I743 HydrophobicContact CB-CG1 4.45Å; M713-I743 HydrophobicContact CB-CG2 4.06Å
714S84.9Confident82.3Confident60 Ų6057.1 Ų57.142%0.4230%0.303SS..G310 helixtrans-54.9-27.2173.677.10000113.6Y710 S711 C712 L716 L717Y710-S714 PolarHBondContact O-N 3.48Å; S711-S714 WeakPolarHBondContact O-CB 3.23Å; S711-S714 PolarHBondContact O-OG 2.82Å; C712-S714 PolarHBondContact O-N 2.9Å; C712-S714 VanDerWaalsContact O-N 3.09Å; S714-L716 PolarHBondContact O-N 3.12Å; S714-L717 VanDerWaalsContact O-CB 3.31Å; S714-L717 WeakPolarHBondContact O-CB 3.37Å; S714-L717 WeakPolarHBondContact O-CG 3.48Å; S714-L717 PolarHBondContact O-N 3Å; S714-L717 VanDerWaalsContact O-N 3.12Å
715K86.9Confident83.4Confident98 Ų9854.6 Ų54.643%0.42629%0.291SS..G310 helixtrans-56.9-33.3173.2-64.1175.8177.1-173.20112.8D661 V664 C712 M713 L717 P719D661-K715 WeakPolarHBondContact OD1-CD 3.38Å; D661-K715 WeakPolarHBondContact OD1-CE 3.24Å; D661-K715 IonicContact OD1-NZ 2.63Å; D661-K715 PolarHBondContact OD1-NZ 3.33Å; D661-K715 IonicContact OD2-NZ 2.7Å; D661-K715 PolarHBondContact OD2-NZ 3.19Å; V664-K715 HydrophobicContact CG2-CB 3.59Å; C712-K715 WeakPolarHBondContact O-CB 3.37Å; C712-K715 VanDerWaalsContact O-CG 3.27Å; C712-K715 WeakPolarHBondContact O-CG 3.29Å; C712-K715 PolarHBondContact O-N 3.22Å; C712-K715 VanDerWaalsContact O-N 3.09Å; M713-K715 PolarHBondContact O-N 3.34Å; M713-K715 VanDerWaalsContact O-N 3.11Å; K715-L717 VanDerWaalsContact C-N 3.26Å; K715-L717 PolarHBondContact O-N 3.37Å; K715-P719 WeakPolarHBondContact O-CD 3.39Å
716L87.2Confident83.7Confident1 Ų157.1 Ų57.11%0.00530%0.302CS..G310 helixtrans-72.1-16.5-179.2-60.9164.9000113V660 M663 V664 L667 V696 M713 S714 R718 P719 L720 I743V660-L716 HydrophobicContact CG1-CD1 4.23Å; V660-L716 HydrophobicContact CG1-CG 4.15Å; V660-L716 HydrophobicContact CG2-CD1 4.5Å; M663-L716 HydrophobicContact CB-CD2 3.77Å; V664-L716 HydrophobicContact CB-CD2 4.42Å; V664-L716 HydrophobicContact CG2-CD2 3.62Å; V664-L716 HydrophobicContact CG2-CG 4.13Å; L667-L716 HydrophobicContact CD1-CD2 3.88Å; V696-L716 HydrophobicContact CG1-CD1 4Å; V696-L716 HydrophobicContact CG2-CD1 4.22Å; M713-L716 HydrophobicContact CB-CD1 4.45Å; M713-L716 VanDerWaalsContact O-CB 3.32Å; M713-L716 WeakPolarHBondContact O-CB 3.5Å; M713-L716 PolarHBondContact O-N 3.27Å; S714-L716 PolarHBondContact O-N 3.12Å; L716-R718 VanDerWaalsContact C-N 3.31Å; L716-R718 PolarHBondContact O-N 3.21Å; L716-P719 WeakPolarHBondContact O-CD 3.37Å; L716-L720 HydrophobicContact CB-CD1 3.9Å; L716-L720 HydrophobicContact CB-CG 4.39Å; L716-L720 WeakPolarHBondContact O-CB 3.42Å; L716-L720 WeakPolarHBondContact O-CD1 3.11Å; L716-L720 WeakPolarHBondContact O-CG 3.34Å; L716-L720 PolarHBondContact O-N 3.14Å; L716-I743 HydrophobicContact CB-CD1 4.22Å; L716-I743 HydrophobicContact CD1-CD1 4.14Å
717L87.6Confident83.8Confident40 Ų4055.3 Ų55.321%0.20929%0.289CS..Hα-helixtrans-61.8-34.3-171.8-70172.9000113.7S714 K715 E721 R740 I743 A744S714-L717 VanDerWaalsContact O-CB 3.31Å; S714-L717 WeakPolarHBondContact O-CB 3.37Å; S714-L717 WeakPolarHBondContact O-CG 3.48Å; S714-L717 PolarHBondContact O-N 3Å; S714-L717 VanDerWaalsContact O-N 3.12Å; K715-L717 VanDerWaalsContact C-N 3.26Å; K715-L717 PolarHBondContact O-N 3.37Å; L717-E721 PolarHBondContact O-N 3.47Å; L717-R740 HydrophobicContact CD2-CG 3.97Å; L717-R740 PolarHBondContact O-NH1 3.29Å; L717-I743 HydrophobicContact CD1-CG2 4.43Å; L717-I743 HydrophobicContact CD2-CB 3.88Å; L717-I743 HydrophobicContact CD2-CG2 3.7Å; L717-I743 HydrophobicContact CG-CG2 3.99Å; L717-A744 HydrophobicContact CD2-CB 3.98Å
718R88.1Confident83.9Confident208 Ų20856.3 Ų56.379%0.78529%0.288SS*.Hα-helixtrans-79.9-46.5178.1-72.1-141.5-74.6161.4-5.9113.4L716 L720 E721 A722L716-R718 VanDerWaalsContact C-N 3.31Å; L716-R718 PolarHBondContact O-N 3.21Å; R718-L720 VanDerWaalsContact C-N 3.31Å; R718-L720 PolarHBondContact O-N 2.88Å; R718-E721 VanDerWaalsContact O-CB 3.25Å; R718-E721 WeakPolarHBondContact O-CB 3.2Å; R718-E721 PolarHBondContact O-N 2.94Å; R718-A722 PolarHBondContact O-N 3.15Å
719P86.1Confident84.1Confident8 Ų851.8 Ų51.85%0.05227%0.269CS..Hα-helixtrans-57.9-40.6171.5-2735.3000113.3L667 Q668 K715 L716 E721 A722 L723L667-P719 HydrophobicContact CB-CB 3.52Å; L667-P719 HydrophobicContact CD1-CB 4.14Å; Q668-P719 HydrophobicContact CG-CB 4.41Å; Q668-P719 HydrophobicContact CG-CG 3.77Å; K715-P719 WeakPolarHBondContact O-CD 3.39Å; L716-P719 WeakPolarHBondContact O-CD 3.37Å; P719-E721 PolarHBondContact O-N 2.91Å; P719-A722 PolarHBondContact O-N 3.4Å; P719-L723 WeakPolarHBondContact O-CG 3.29Å; P719-L723 PolarHBondContact O-N 3.28Å; P719-L723 VanDerWaalsContact O-N 3.17Å
720L87.6Confident84.2Confident1 Ų154.8 Ų54.81%0.00529%0.288CS..Hα-helixtrans-66.5-22.9174.7-66.6169.5000113.1L667 M693 L716 R718 S724 A736 L739 R740 I743L667-L720 HydrophobicContact CD1-CD2 3.68Å; L667-L720 HydrophobicContact CD1-CG 3.88Å; M693-L720 HydrophobicContact CE-CD2 4.28Å; L716-L720 HydrophobicContact CB-CD1 3.9Å; L716-L720 HydrophobicContact CB-CG 4.39Å; L716-L720 WeakPolarHBondContact O-CB 3.42Å; L716-L720 WeakPolarHBondContact O-CD1 3.11Å; L716-L720 WeakPolarHBondContact O-CG 3.34Å; L716-L720 PolarHBondContact O-N 3.14Å; R718-L720 VanDerWaalsContact C-N 3.31Å; R718-L720 PolarHBondContact O-N 2.88Å; L720-S724 VanDerWaalsContact O-CB 3.25Å; L720-S724 WeakPolarHBondContact O-CB 3.48Å; L720-S724 PolarHBondContact O-N 2.85Å; L720-S724 VanDerWaalsContact O-N 3.15Å; L720-S724 PolarHBondContact O-OG 3.09Å; L720-A736 HydrophobicContact CD2-CB 4.17Å; L720-L739 HydrophobicContact CD1-CB 4.06Å; L720-L739 HydrophobicContact CD2-CB 4.36Å; L720-L739 HydrophobicContact CD2-CD1 4.45Å; L720-R740 HydrophobicContact CB-CB 4.04Å; L720-R740 HydrophobicContact CD1-CB 4.37Å; L720-I743 HydrophobicContact CD1-CD1 3.86Å
721E87.1Confident84.1Confident65 Ų6557.9 Ų57.930%0.30431%0.309SS..Hα-helixtrans-71-52.8175.5-166.4156.2-156.500111.5L717 R718 P719 L723 S724 Q725 R740L717-E721 PolarHBondContact O-N 3.47Å; R718-E721 VanDerWaalsContact O-CB 3.25Å; R718-E721 WeakPolarHBondContact O-CB 3.2Å; R718-E721 PolarHBondContact O-N 2.94Å; P719-E721 PolarHBondContact O-N 2.91Å; E721-L723 PolarHBondContact O-N 2.67Å; E721-S724 PolarHBondContact O-N 3.03Å; E721-S724 PolarHBondContact O-OG 2.95Å; E721-Q725 WeakPolarHBondContact O-CG 3.34Å; E721-Q725 PolarHBondContact O-N 2.93Å; E721-R740 IonicContact OE1-CZ 3.45Å; E721-R740 IonicContact OE1-NH1 3.71Å; E721-R740 IonicContact OE1-NH2 2.72Å; E721-R740 PolarHBondContact OE1-NH2 3.12Å; E721-R740 IonicContact OE2-CZ 3.27Å; E721-R740 VanDerWaalsContact OE2-CZ 3.27Å; E721-R740 IonicContact OE2-NH1 2.71Å; E721-R740 PolarHBondContact OE2-NH1 3.41Å; E721-R740 IonicContact OE2-NH2 3.16Å; E721-R740 PolarHBondContact OE2-NH2 2.88Å; E721-R740 VanDerWaalsContact OE2-NH2 3.16Å
722A84.4Confident84Confident21 Ų2154.6 Ų54.617%0.17429%0.286CS..Hα-helixtrans-57.2-50.5177.600000111.2C671 R718 P719 S724 Q725 Q726C671-A722 HydrophobicContact CB-CB 4.4Å; R718-A722 PolarHBondContact O-N 3.15Å; P719-A722 PolarHBondContact O-N 3.4Å; A722-S724 VanDerWaalsContact C-N 3.28Å; A722-S724 PolarHBondContact O-N 2.96Å; A722-Q725 PolarHBondContact O-N 2.69Å; A722-Q726 WeakPolarHBondContact O-CB 3.41Å; A722-Q726 PolarHBondContact O-N 2.83Å
723L85.2Confident84.1Confident0 Ų056.1 Ų56.10%029%0.29CS..Hα-helixtrans-61.4-33.5177.9-64.7173.4000113.1L667 A670 L674 L689 M693 P719 E721 Q725 H727 A736L667-L723 HydrophobicContact CB-CD1 4Å; L667-L723 HydrophobicContact CD2-CD1 3.67Å; L667-L723 HydrophobicContact CG-CD1 4.28Å; A670-L723 HydrophobicContact CB-CD2 4.31Å; L674-L723 HydrophobicContact CD1-CD2 3.95Å; L689-L723 HydrophobicContact CD1-CD1 4.01Å; L689-L723 HydrophobicContact CD2-CD1 4.48Å; L689-L723 HydrophobicContact CD2-CD2 4.21Å; M693-L723 HydrophobicContact CE-CB 4.35Å; M693-L723 HydrophobicContact CE-CD1 3.68Å; P719-L723 WeakPolarHBondContact O-CG 3.29Å; P719-L723 PolarHBondContact O-N 3.28Å; P719-L723 VanDerWaalsContact O-N 3.17Å; E721-L723 PolarHBondContact O-N 2.67Å; L723-Q725 PolarHBondContact O-N 2.91Å; L723-H727 HydrophobicContact CD2-CB 4.46Å; L723-H727 VanDerWaalsContact O-CB 3.23Å; L723-H727 WeakPolarHBondContact O-CB 3.46Å; L723-A736 HydrophobicContact CB-CB 4.13Å
724S86.1Confident84Confident27 Ų2760.9 Ų60.919%0.18931%0.312CS..Hα-helixtrans-71.7-13.8175.372.40000114.7L720 E721 A722L720-S724 VanDerWaalsContact O-CB 3.25Å; L720-S724 WeakPolarHBondContact O-CB 3.48Å; L720-S724 PolarHBondContact O-N 2.85Å; L720-S724 VanDerWaalsContact O-N 3.15Å; L720-S724 PolarHBondContact O-OG 3.09Å; E721-S724 PolarHBondContact O-N 3.03Å; E721-S724 PolarHBondContact O-OG 2.95Å; A722-S724 VanDerWaalsContact C-N 3.28Å; A722-S724 PolarHBondContact O-N 2.96Å
725Q84.6Confident83.9Confident132 Ų13259.3 Ų59.362%0.61730%0.299SS*.Hα-helixtrans-115.2-31.2-174.6-66.6176.825.900113.6E721 A722 L723E721-Q725 WeakPolarHBondContact O-CG 3.34Å; E721-Q725 PolarHBondContact O-N 2.93Å; A722-Q725 PolarHBondContact O-N 2.69Å; L723-Q725 PolarHBondContact O-N 2.91Å
726Q80.3Confident83.9Confident91 Ų9154.6 Ų54.643%0.42528%0.278SS..Hα-helixtrans-115.5-20.7-168.4-64.4169.8-84.400114.2L674 D675 A722L674-Q726 HydrophobicContact CB-CB 4.36Å; L674-Q726 HydrophobicContact CD1-CB 3.89Å; D675-Q726 PolarHBondContact OD1-NE2 3.11Å; A722-Q726 WeakPolarHBondContact O-CB 3.41Å; A722-Q726 PolarHBondContact O-N 2.83Å
727H80.1Confident83.8Confident12 Ų1257 Ų576%0.05630%0.295CS..  trans-71.1137.3-172.3-169.3-90.7000112.3L674 L723 D729 V732 Q733L674-H727 HydrophobicContact CD1-CB 4.19Å; L723-H727 HydrophobicContact CD2-CB 4.46Å; L723-H727 VanDerWaalsContact O-CB 3.23Å; L723-H727 WeakPolarHBondContact O-CB 3.46Å; H727-D729 PolarHBondContact ND1-N 3.27Å; H727-D729 VanDerWaalsContact ND1-N 3.16Å; H727-D729 PolarHBondContact ND1-O 3.08Å; H727-D729 PolarHBondContact O-N 3.39Å; H727-V732 HydrophobicContact CB-CG1 4.32Å; H727-V732 WeakPolarHBondContact ND1-CB 3.37Å; H727-Q733 HydrophobicContact CB-CG 4.47Å; H727-Q733 PolarHBondContact O-NE2 3Å
728P76.4Confident83.7Confident103 Ų10356.4 Ų56.467%0.66929%0.292SS*.SBendtrans-72.4-24.3-174.427.2-36.1000115.1
729D80.9Confident83.6Confident60 Ų6046.5 Ų46.532%0.32126%0.255SS..  trans-86120.6173.9-173.9-3.4000111.6H727 V731 V732 Q733H727-D729 PolarHBondContact ND1-N 3.27Å; H727-D729 VanDerWaalsContact ND1-N 3.16Å; H727-D729 PolarHBondContact ND1-O 3.08Å; H727-D729 PolarHBondContact O-N 3.39Å; D729-V731 VanDerWaalsContact C-N 3.3Å; D729-V731 PolarHBondContact O-N 3.02Å; D729-V731 WeakPolarHBondContact OD1-CB 3.42Å; D729-V731 PolarHBondContact OD1-N 2.89Å; D729-V732 HydrophobicContact CB-CB 4.31Å; D729-V732 HydrophobicContact CB-CG2 4.05Å; D729-V732 PolarHBondContact O-N 3.22Å; D729-Q733 PolarHBondContact O-N 3.25Å; D729-Q733 VanDerWaalsContact O-N 3.13Å
730V81.8Confident83.6Confident97 Ų9749.4 Ų49.459%0.58827%0.265SS*.Hα-helixtrans-61.2-34.5177.2-177.50000112.3V732 Q733 E734V730-V732 VanDerWaalsContact C-N 3.29Å; V730-V732 PolarHBondContact O-N 2.8Å; V730-Q733 PolarHBondContact O-N 3.41Å; V730-E734 PolarHBondContact O-N 3.35Å
731V79.9Confident83.4Confident87 Ų8751 Ų5153%0.52728%0.278SS..Hα-helixtrans-65-38.7179.7-178.90000110.4D729 L735D729-V731 VanDerWaalsContact C-N 3.3Å; D729-V731 PolarHBondContact O-N 3.02Å; D729-V731 WeakPolarHBondContact OD1-CB 3.42Å; D729-V731 PolarHBondContact OD1-N 2.89Å; V731-L735 HydrophobicContact CG1-CD1 4.2Å; V731-L735 WeakPolarHBondContact O-CB 3.37Å; V731-L735 PolarHBondContact O-N 3.37Å
732V81.9Confident83.3Confident0 Ų048.1 Ų48.10%027%0.265CS..Hα-helixtrans-69.8-40.9174.9175.30000111.2L689 M693 H727 D729 V730 E734 L735 A736L689-V732 HydrophobicContact CD2-CG1 3.59Å; L689-V732 HydrophobicContact CG-CG1 4.15Å; M693-V732 HydrophobicContact CE-CG1 3.73Å; M693-V732 HydrophobicContact SD-CG1 4.12Å; H727-V732 HydrophobicContact CB-CG1 4.32Å; H727-V732 WeakPolarHBondContact ND1-CB 3.37Å; D729-V732 HydrophobicContact CB-CB 4.31Å; D729-V732 HydrophobicContact CB-CG2 4.05Å; D729-V732 PolarHBondContact O-N 3.22Å; V730-V732 VanDerWaalsContact C-N 3.29Å; V730-V732 PolarHBondContact O-N 2.8Å; V732-E734 PolarHBondContact O-N 3.24Å; V732-L735 PolarHBondContact O-N 3.05Å; V732-A736 VanDerWaalsContact O-CB 3.24Å; V732-A736 WeakPolarHBondContact O-CB 3.44Å; V732-A736 PolarHBondContact O-N 3.21Å
733Q83.8Confident83.4Confident64 Ų6447.4 Ų47.430%0.29926%0.258SS..Hα-helixtrans-59.1-46.3174.9-67.9-177.4-300111.7H727 D729 V730 A736 S737H727-Q733 HydrophobicContact CB-CG 4.47Å; H727-Q733 PolarHBondContact O-NE2 3Å; D729-Q733 PolarHBondContact O-N 3.25Å; D729-Q733 VanDerWaalsContact O-N 3.13Å; V730-Q733 PolarHBondContact O-N 3.41Å; Q733-A736 PolarHBondContact O-N 2.91Å; Q733-S737 WeakPolarHBondContact O-CB 3.46Å; Q733-S737 PolarHBondContact O-N 2.95Å; Q733-S737 PolarHBondContact O-OG 2.86Å
734E82.9Confident83.3Confident104 Ų10450.3 Ų50.349%0.48628%0.282SS..Hα-helixtrans-64.1-48.3179.2-177.6173175.700111.2V730 V732 A736 S737 N738V730-E734 PolarHBondContact O-N 3.35Å; V732-E734 PolarHBondContact O-N 3.24Å; E734-A736 PolarHBondContact O-N 3.11Å; E734-S737 PolarHBondContact O-N 2.8Å; E734-S737 PolarHBondContact O-OG 3.43Å; E734-N738 VanDerWaalsContact CG-ND2 3.34Å; E734-N738 WeakPolarHBondContact CG-ND2 3.41Å; E734-N738 WeakPolarHBondContact O-CB 3.44Å; E734-N738 PolarHBondContact O-N 2.92Å; E734-N738 PolarHBondContact O-ND2 3.13Å; E734-N738 VanDerWaalsContact O-ND2 3.08Å
735L82.9Confident83.2Confident26 Ų2651.7 Ų51.714%0.13629%0.289CS..Hα-helixtrans-58.3-44.6175-85.8161.9000112.3M693 V731 V732 N738 L739 A757M693-L735 HydrophobicContact SD-CB 3.79Å; V731-L735 HydrophobicContact CG1-CD1 4.2Å; V731-L735 WeakPolarHBondContact O-CB 3.37Å; V731-L735 PolarHBondContact O-N 3.37Å; V732-L735 PolarHBondContact O-N 3.05Å; L735-N738 PolarHBondContact O-N 3.5Å; L735-L739 WeakPolarHBondContact O-CB 3.43Å; L735-L739 VanDerWaalsContact O-CG 3.26Å; L735-L739 WeakPolarHBondContact O-CG 3.48Å; L735-L739 PolarHBondContact O-N 3.43Å; L735-A757 HydrophobicContact CD2-CB 4.32Å
736A86.3Confident82.9Confident0 Ų051.1 Ų51.10%029%0.287CS..Hα-helixtrans-62.4-46179.400000112.2M693 L720 L723 V732 Q733 E734 R740M693-A736 HydrophobicContact CE-CB 3.82Å; M693-A736 HydrophobicContact SD-CB 4.36Å; L720-A736 HydrophobicContact CD2-CB 4.17Å; L723-A736 HydrophobicContact CB-CB 4.13Å; V732-A736 VanDerWaalsContact O-CB 3.24Å; V732-A736 WeakPolarHBondContact O-CB 3.44Å; V732-A736 PolarHBondContact O-N 3.21Å; Q733-A736 PolarHBondContact O-N 2.91Å; E734-A736 PolarHBondContact O-N 3.11Å; A736-R740 VanDerWaalsContact O-CB 3.28Å; A736-R740 WeakPolarHBondContact O-CB 3.46Å; A736-R740 PolarHBondContact O-N 2.72Å
737S85.8Confident82.6Confident52 Ų5247.5 Ų47.536%0.36427%0.274SS..Hα-helixtrans-64.9-42178.570.20000112.5Q733 E734 R740 A741Q733-S737 WeakPolarHBondContact O-CB 3.46Å; Q733-S737 PolarHBondContact O-N 2.95Å; Q733-S737 PolarHBondContact O-OG 2.86Å; E734-S737 PolarHBondContact O-N 2.8Å; E734-S737 PolarHBondContact O-OG 3.43Å; S737-R740 PolarHBondContact O-N 3.21Å; S737-A741 WeakPolarHBondContact O-CB 3.19Å; S737-A741 PolarHBondContact O-N 3.22Å
738N84.6Confident82.1Confident26 Ų2651.4 Ų51.414%0.13931%0.308CS..Hα-helixtrans-64.8-45.6177.5-78.6-42000111.8E734 L735 A741 V742 P751 L754E734-N738 VanDerWaalsContact CG-ND2 3.34Å; E734-N738 WeakPolarHBondContact CG-ND2 3.41Å; E734-N738 WeakPolarHBondContact O-CB 3.44Å; E734-N738 PolarHBondContact O-N 2.92Å; E734-N738 PolarHBondContact O-ND2 3.13Å; E734-N738 VanDerWaalsContact O-ND2 3.08Å; L735-N738 PolarHBondContact O-N 3.5Å; N738-A741 PolarHBondContact O-N 2.92Å; N738-V742 WeakPolarHBondContact O-CG2 3.32Å; N738-V742 PolarHBondContact O-N 3.15Å; N738-V742 VanDerWaalsContact O-N 3.08Å; N738-P751 HydrophobicContact CB-CG 4.19Å; N738-P751 VanDerWaalsContact OD1-CB 3.31Å; N738-P751 WeakPolarHBondContact OD1-CB 3.29Å; N738-P751 WeakPolarHBondContact OD1-CG 3.24Å; N738-L754 HydrophobicContact CB-CD1 3.9Å; N738-L754 HydrophobicContact CB-CG 4.3Å
739L86Confident81.6Confident0 Ų049.7 Ų49.70%030%0.298CS..Hα-helixtrans-62.7-43.9175.7-72.6169.8000111.9M693 V696 A697 L700 L720 L735 A741 V742 I743 L754M693-L739 HydrophobicContact CB-CD1 3.68Å; M693-L739 HydrophobicContact CG-CD1 3.91Å; V696-L739 HydrophobicContact CB-CD1 4.37Å; V696-L739 HydrophobicContact CB-CD2 4.33Å; V696-L739 HydrophobicContact CG1-CD2 4.08Å; A697-L739 HydrophobicContact CB-CD2 4.06Å; L700-L739 HydrophobicContact CD1-CD2 3.78Å; L720-L739 HydrophobicContact CD1-CB 4.06Å; L720-L739 HydrophobicContact CD2-CB 4.36Å; L720-L739 HydrophobicContact CD2-CD1 4.45Å; L735-L739 WeakPolarHBondContact O-CB 3.43Å; L735-L739 VanDerWaalsContact O-CG 3.26Å; L735-L739 WeakPolarHBondContact O-CG 3.48Å; L735-L739 PolarHBondContact O-N 3.43Å; L739-A741 VanDerWaalsContact C-N 3.33Å; L739-A741 PolarHBondContact O-N 3.26Å; L739-V742 PolarHBondContact O-N 3.23Å; L739-I743 WeakPolarHBondContact O-CG1 3.22Å; L739-I743 PolarHBondContact O-N 3.48Å; L739-L754 HydrophobicContact CD2-CD2 3.72Å; L739-L754 HydrophobicContact CG-CD2 4.25Å
740R87.8Confident80.9Confident70 Ų7054.1 Ų54.126%0.26431%0.31SS..Hα-helixtrans-59.1-42.9175.5177.1176157103.3-11.7111.6L717 L720 E721 A736 S737 I743 A744L717-R740 HydrophobicContact CD2-CG 3.97Å; L717-R740 PolarHBondContact O-NH1 3.29Å; L720-R740 HydrophobicContact CB-CB 4.04Å; L720-R740 HydrophobicContact CD1-CB 4.37Å; E721-R740 IonicContact OE1-CZ 3.45Å; E721-R740 IonicContact OE1-NH1 3.71Å; E721-R740 IonicContact OE1-NH2 2.72Å; E721-R740 PolarHBondContact OE1-NH2 3.12Å; E721-R740 IonicContact OE2-CZ 3.27Å; E721-R740 VanDerWaalsContact OE2-CZ 3.27Å; E721-R740 IonicContact OE2-NH1 2.71Å; E721-R740 PolarHBondContact OE2-NH1 3.41Å; E721-R740 IonicContact OE2-NH2 3.16Å; E721-R740 PolarHBondContact OE2-NH2 2.88Å; E721-R740 VanDerWaalsContact OE2-NH2 3.16Å; A736-R740 VanDerWaalsContact O-CB 3.28Å; A736-R740 WeakPolarHBondContact O-CB 3.46Å; A736-R740 PolarHBondContact O-N 2.72Å; S737-R740 PolarHBondContact O-N 3.21Å; R740-I743 PolarHBondContact O-N 3.11Å; R740-A744 WeakPolarHBondContact O-CB 3.43Å; R740-A744 PolarHBondContact O-N 3.09Å
741A83.4Confident80Confident35 Ų3551.1 Ų51.129%0.28929%0.292SS..Hα-helixtrans-64-42.1177.600000112.7S737 N738 L739 T745S737-A741 WeakPolarHBondContact O-CB 3.19Å; S737-A741 PolarHBondContact O-N 3.22Å; N738-A741 PolarHBondContact O-N 2.92Å; L739-A741 VanDerWaalsContact C-N 3.33Å; L739-A741 PolarHBondContact O-N 3.26Å; A741-T745 WeakPolarHBondContact O-CB 3.38Å; A741-T745 VanDerWaalsContact O-CG2 3.32Å; A741-T745 WeakPolarHBondContact O-CG2 3.48Å; A741-T745 PolarHBondContact O-N 3.44Å; A741-T745 VanDerWaalsContact O-N 3.1Å; A741-T745 PolarHBondContact O-OG1 3.1Å
742V85.2Confident78.9Confident4 Ų455.4 Ų55.42%0.02431%0.306CS..Hα-helixtrans-63.3-47.6175.7174.60000111.3L700 N738 L739 T745 H746 G747 C749 R750 L754L700-V742 HydrophobicContact CB-CG1 4.28Å; L700-V742 HydrophobicContact CD1-CB 4.3Å; L700-V742 HydrophobicContact CD1-CG1 3.93Å; L700-V742 HydrophobicContact CD2-CG1 4.08Å; L700-V742 HydrophobicContact CG-CG1 4.33Å; N738-V742 WeakPolarHBondContact O-CG2 3.32Å; N738-V742 PolarHBondContact O-N 3.15Å; N738-V742 VanDerWaalsContact O-N 3.08Å; L739-V742 PolarHBondContact O-N 3.23Å; V742-T745 PolarHBondContact O-N 3.39Å; V742-T745 PolarHBondContact O-OG1 3.34Å; V742-H746 PolarHBondContact O-N 2.93Å; V742-G747 PolarHBondContact O-N 2.89Å; V742-C749 WeakPolarHBondContact CG2-O 3.12Å; V742-R750 HydrophobicContact CG2-CG 4.45Å; V742-L754 HydrophobicContact CG2-CD1 3.56Å
743I86.1Confident77.6Confident5 Ų558.5 Ų58.53%0.02633%0.328CS..Hα-helixtrans-64.3-49-179.2-64.2165.8000110.4V696 L700 M713 L716 L717 L720 L739 R740 T745 H746V696-I743 HydrophobicContact CG1-CD1 4.29Å; L700-I743 HydrophobicContact CD1-CD1 4.24Å; L700-I743 HydrophobicContact CD1-CG1 3.8Å; L700-I743 HydrophobicContact CD2-CG1 4.07Å; M713-I743 HydrophobicContact CB-CD1 4.47Å; M713-I743 HydrophobicContact CB-CG1 4.45Å; M713-I743 HydrophobicContact CB-CG2 4.06Å; L716-I743 HydrophobicContact CB-CD1 4.22Å; L716-I743 HydrophobicContact CD1-CD1 4.14Å; L717-I743 HydrophobicContact CD1-CG2 4.43Å; L717-I743 HydrophobicContact CD2-CB 3.88Å; L717-I743 HydrophobicContact CD2-CG2 3.7Å; L717-I743 HydrophobicContact CG-CG2 3.99Å; L720-I743 HydrophobicContact CD1-CD1 3.86Å; L739-I743 WeakPolarHBondContact O-CG1 3.22Å; L739-I743 PolarHBondContact O-N 3.48Å; R740-I743 PolarHBondContact O-N 3.11Å; I743-T745 PolarHBondContact O-N 3.1Å; I743-H746 PolarHBondContact O-N 3.21Å; I743-H746 VanDerWaalsContact O-N 3.14Å
744A83.6Confident76.4Confident61 Ų6156.3 Ų56.350%0.50432%0.319SS..Hα-helixtrans-66.1-24.1-177.700000113.7L717 R740L717-A744 HydrophobicContact CD2-CB 3.98Å; R740-A744 WeakPolarHBondContact O-CB 3.43Å; R740-A744 PolarHBondContact O-N 3.09Å
745T83.9Confident74.9Confident56 Ų5653.7 Ų53.734%0.34432%0.315SS..THydrogen-bonded Turntrans-98.98.4176.5630000113.7A741 V742 I743 G747 A748 C749A741-T745 WeakPolarHBondContact O-CB 3.38Å; A741-T745 VanDerWaalsContact O-CG2 3.32Å; A741-T745 WeakPolarHBondContact O-CG2 3.48Å; A741-T745 PolarHBondContact O-N 3.44Å; A741-T745 VanDerWaalsContact O-N 3.1Å; A741-T745 PolarHBondContact O-OG1 3.1Å; V742-T745 PolarHBondContact O-N 3.39Å; V742-T745 PolarHBondContact O-OG1 3.34Å; I743-T745 PolarHBondContact O-N 3.1Å; T745-G747 PolarHBondContact O-N 3Å; T745-A748 WeakPolarHBondContact O-CB 3.35Å; T745-A748 PolarHBondContact O-N 3.23Å; T745-C749 HydrophobicContact CG2-CB 4.06Å; T745-C749 PolarHBondContact OG1-N 3Å; T745-C749 VanDerWaalsContact OG1-N 3.12Å
746H78.1Confident73.4Confident121 Ų12156.9 Ų56.956%0.5633%0.332SS*.THydrogen-bonded Turntrans50.635.3-173.3-67.6-82.7000113.5Y710 V742 I743 A748Y710-H746 WeakPolarHBondContact CB-ND1 3.45Å; Y710-H746 AromaticContact CD1-ND1 3.77Å; Y710-H746 AromaticContact CG-ND1 3.45Å; Y710-H746 PolarHBondContact OH-O 3.13Å; V742-H746 PolarHBondContact O-N 2.93Å; I743-H746 PolarHBondContact O-N 3.21Å; I743-H746 VanDerWaalsContact O-N 3.14Å; H746-A748 VanDerWaalsContact C-N 3.34Å; H746-A748 PolarHBondContact O-N 3.16Å
747G74Confident71.7Confident15 Ų1558.6 Ų58.616%0.15535%0.346CS..THydrogen-bonded Turntrans78.76.1-177.700000115.8V742 T745 C749V742-G747 PolarHBondContact O-N 2.89Å; T745-G747 PolarHBondContact O-N 3Å; G747-C749 VanDerWaalsContact C-N 3.3Å; G747-C749 PolarHBondContact O-N 2.85Å
748A69.6Low70Confident94 Ų9457.5 Ų57.578%0.77734%0.34SS*.SBendtrans-70.5-24.2176.500000113.3T745 H746T745-A748 WeakPolarHBondContact O-CB 3.35Å; T745-A748 PolarHBondContact O-N 3.23Å; H746-A748 VanDerWaalsContact C-N 3.34Å; H746-A748 PolarHBondContact O-N 3.16Å
749C64.6Low68.2Low66 Ų6664.9 Ų64.945%0.44637%0.366SS..SBendtrans-114119.5167.5-171.10000109.3V742 T745 G747V742-C749 WeakPolarHBondContact CG2-O 3.12Å; T745-C749 HydrophobicContact CG2-CB 4.06Å; T745-C749 PolarHBondContact OG1-N 3Å; T745-C749 VanDerWaalsContact OG1-N 3.12Å; G747-C749 VanDerWaalsContact C-N 3.3Å; G747-C749 PolarHBondContact O-N 2.85Å
750R65.9Low66.1Low154 Ų15470.2 Ų70.258%0.58140%0.402SS*.  trans-124.6101.3177.8-81.8177.1162.4158.1-7.9110L700 V742L700-R750 PolarHBondContact O-NH2 3.27Å; L700-R750 VanDerWaalsContact O-NH2 3.07Å; V742-R750 HydrophobicContact CG2-CG 4.45Å
751P64.4Low63.7Low33 Ų3378 Ų7821%0.21443%0.431CS..  trans-57.3139.9170.4-24.432.8000112.1N738 S753 L754N738-P751 HydrophobicContact CB-CG 4.19Å; N738-P751 VanDerWaalsContact OD1-CB 3.31Å; N738-P751 WeakPolarHBondContact OD1-CB 3.29Å; N738-P751 WeakPolarHBondContact OD1-CG 3.24Å; P751-S753 VanDerWaalsContact C-N 3.33Å; P751-S753 PolarHBondContact O-N 2.72Å; P751-L754 HydrophobicContact CB-CD1 4.32Å; P751-L754 HydrophobicContact CG-CD1 4.19Å; P751-L754 PolarHBondContact O-N 2.72Å
752E55.6Low61.2Low177 Ų17779.5 Ų79.583%0.82745%0.45SS*.THydrogen-bonded Turntrans-63.4-37.3-173.6-61.6-175.6143.900112.6L754 A755E752-L754 PolarHBondContact O-N 2.85Å; E752-L754 VanDerWaalsContact O-N 3.12Å; E752-A755 WeakPolarHBondContact O-CB 3.32Å; E752-A755 PolarHBondContact O-N 3.03Å
753S55.1Low58.4Low66 Ų6686.4 Ų86.446%0.46249%0.488SS..Hα-helixtrans-56.2-28.4-179.5-168.70000114.5P751 A755 D756 A757P751-S753 VanDerWaalsContact C-N 3.33Å; P751-S753 PolarHBondContact O-N 2.72Å; S753-A755 VanDerWaalsContact C-N 3.3Å; S753-A755 PolarHBondContact O-N 3.15Å; S753-D756 PolarHBondContact O-N 3.17Å; S753-A757 PolarHBondContact O-N 3.42Å
754L58.8Low55.8Low18 Ų1893.4 Ų93.49%0.09453%0.533CS..Hα-helixtrans-67.4-28177.9-86.5155000113.6A697 N738 L739 V742 P751 E752 D756 A758A697-L754 HydrophobicContact CB-CD2 3.86Å; N738-L754 HydrophobicContact CB-CD1 3.9Å; N738-L754 HydrophobicContact CB-CG 4.3Å; L739-L754 HydrophobicContact CD2-CD2 3.72Å; L739-L754 HydrophobicContact CG-CD2 4.25Å; V742-L754 HydrophobicContact CG2-CD1 3.56Å; P751-L754 HydrophobicContact CB-CD1 4.32Å; P751-L754 HydrophobicContact CG-CD1 4.19Å; P751-L754 PolarHBondContact O-N 2.72Å; E752-L754 PolarHBondContact O-N 2.85Å; E752-L754 VanDerWaalsContact O-N 3.12Å; L754-D756 VanDerWaalsContact C-N 3.26Å; L754-D756 PolarHBondContact O-N 3.15Å; L754-A758 WeakPolarHBondContact O-CB 3.18Å; L754-A758 PolarHBondContact O-N 2.96Å
755A51.1Low53.3Low49 Ų4993.1 Ų93.141%0.40554%0.536SS..Hα-helixtrans-68.7-28.1179.500000112.3E752 S753 R759E752-A755 WeakPolarHBondContact O-CB 3.32Å; E752-A755 PolarHBondContact O-N 3.03Å; S753-A755 VanDerWaalsContact C-N 3.3Å; S753-A755 PolarHBondContact O-N 3.15Å; A755-R759 VanDerWaalsContact O-CD 3.28Å; A755-R759 WeakPolarHBondContact O-CD 3.33Å; A755-R759 VanDerWaalsContact O-CG 3.3Å; A755-R759 WeakPolarHBondContact O-CG 3.33Å
756D50.9Low50.7Low92 Ų9299.4 Ų99.449%0.49256%0.561SS.*Hα-helixtrans-89.8-36.6178.1-66.4-34.6000111.8S753 L754 A758 R759 C760S753-D756 PolarHBondContact O-N 3.17Å; L754-D756 VanDerWaalsContact C-N 3.26Å; L754-D756 PolarHBondContact O-N 3.15Å; D756-A758 PolarHBondContact O-N 3.38Å; D756-R759 WeakPolarHBondContact O-CB 3.35Å; D756-R759 PolarHBondContact O-N 3Å; D756-R759 IonicContact OD1-CZ 3.87Å; D756-R759 IonicContact OD1-NH1 2.83Å; D756-R759 PolarHBondContact OD1-NH1 3.35Å; D756-C760 PolarHBondContact O-SG 3.09Å
757A51.7Low48.2Very low36 Ų36100.7 Ų100.730%0.29858%0.578SS.*Hα-helixtrans-55.8-39.2170.300000112.6L735 S753 R759L735-A757 HydrophobicContact CD2-CB 4.32Å; S753-A757 PolarHBondContact O-N 3.42Å; A757-R759 PolarHBondContact O-N 3.38Å
758A50.3Low46Very low29 Ų29106.2 Ų106.224%0.2461%0.609CS.*THydrogen-bonded Turntrans-70.2-14.5175.800000114.3T698 L754 D756T698-A758 HydrophobicContact CG2-CB 4.41Å; L754-A758 WeakPolarHBondContact O-CB 3.18Å; L754-A758 PolarHBondContact O-N 2.96Å; D756-A758 PolarHBondContact O-N 3.38Å
759R45.8Very low44.1Very low181 Ų181109.1 Ų109.168%0.68361%0.607SS**THydrogen-bonded Turntrans-92.7-12-178.6-74.5167.8173163.1-4.6114.2A755 D756 A757 R761A755-R759 VanDerWaalsContact O-CD 3.28Å; A755-R759 WeakPolarHBondContact O-CD 3.33Å; A755-R759 VanDerWaalsContact O-CG 3.3Å; A755-R759 WeakPolarHBondContact O-CG 3.33Å; D756-R759 WeakPolarHBondContact O-CB 3.35Å; D756-R759 PolarHBondContact O-N 3Å; D756-R759 IonicContact OD1-CZ 3.87Å; D756-R759 IonicContact OD1-NH1 2.83Å; D756-R759 PolarHBondContact OD1-NH1 3.35Å; A757-R759 PolarHBondContact O-N 3.38Å; R759-R761 PolarHBondContact O-N 3.12Å
760C41.9Very low42.2Very low113 Ų113111.4 Ų111.476%0.76461%0.614SS**  trans-70.219.9-175.2-64.50000116D756D756-C760 PolarHBondContact O-SG 3.09Å
761R38Very low40.3Very low232 Ų232110.1 Ų110.188%0.87563%0.629SS**  trans-110.681.3170-98.3-168.9170.6-155.2-0.5111R759R759-R761 PolarHBondContact O-N 3.12Å
762G30.3Very low38.5Very low67 Ų67117.8 Ų117.869%0.69166%0.659SS**SBendtrans-178.2112.5170.800000112.7
763N26.3Very low37Very low150 Ų150113.7 Ų113.780%0.80266%0.656SS**  trans26.3115.8168.9-66.4-0.7000119.3G765N763-G765 PolarHBondContact O-N 2.62Å
764P32Very low35.5Very low151 Ų151120.2 Ų120.298%0.98168%0.676SS**SBendtrans-75.674.816533.7-34.2000110.8
765G31.1Very low33.9Very low55 Ų55124.4 Ų124.457%0.56771%0.706SS**  trans-164.3126.8179.300000112.8N763N763-G765 PolarHBondContact O-N 2.62Å
766E30Very low32.6Very low188 Ų188130.5 Ų130.588%0.87973%0.726SS**  trans56.4108.8172-57.2-17015700117.9
767T24.8Very low31.3Very low149 Ų149129 Ų12991%0.91473%0.733SS**  -164.3152.3102.415.20000111.9
768T28.5Very low30Very low130 Ų130138 Ų13880%0.79876%0.759SS**  trans-110.9157.7-173.4-15.90000112.1
769E28.5Very low28.7Very low156 Ų156140.7 Ų140.773%0.72978%0.776SS**  trans88.5138.9145.3-95.8-174.8-125.100123.2
770N25.9Very low27.7Very low114 Ų114140.6 Ų140.661%0.6178%0.784SS**  trans70.6107.5149.7-66.6-41.6000121.9
771S25.7Very low27Very low126 Ų126144.3 Ų144.388%0.88179%0.79SS**  -147.2155.8105.255.50000112.1
772K26.2Very low26.2Very low194 Ų194139.6 Ų139.684%0.84379%0.787SS**  trans-126.7130.1-174.8-72173.3179164.30112.5
773A23.5Very low26.4Very low92 Ų92142 Ų14276%0.7679%0.791SS**  trans-158.1122155.300000108
774K24.5Very low26.4Very low203 Ų203139.8 Ų139.888%0.88379%0.793SS**  60.5139.985.5-68.8-175.8178.8-177.70114.3
775S24.1Very low26Very low105 Ų105136.2 Ų136.273%0.73478%0.783SS**  cis175.3160-13.250.50000107.7
776E23.9Very low25.8Very low177 Ų177145.6 Ų145.683%0.82780%0.802SS**  cis-158.8-174.23.7-145.4-163.7-85.800110.2
777G25Very low25.6Very low62 Ų62146.2 Ų146.264%0.63980%0.802SS**  trans114106.8174.900000112.8
778R24.4Very low25.8Very low223 Ų223144.5 Ų144.584%0.84279%0.793SS**  cis68.5122.344-130.6-172.7-178.7163.8-1.1110.7
779S23.1Very low25.8Very low86 Ų86147.8 Ų147.860%0.60180%0.8SS**  cis-156.6151.431.3-500000115
780Q25.2Very low25.5Very low179 Ų179151.5 Ų151.584%0.83681%0.807SS**  trans47.7118.9142.3-63.3170.8-8.200121.5
781Q25.7Very low25.7Very low191 Ų191151.1 Ų151.189%0.89381%0.811SS**  -176.3152.8104.1-96.9174.224.200113.2
782T21.9Very low25.7Very low133 Ų133150.5 Ų150.582%0.81681%0.806SS**  trans-120.8162.2171.928.30000108.2
783P34.8Very low25.8Very low118 Ų118146.7 Ų146.777%0.76680%0.801SS**  cis-146.8165.636.142-21.8000120
784A24.8Very low26.1Very low104 Ų104148.1 Ų148.186%0.8680%0.803SS**  trans34.1122144.300000122.3
785G25.3Very low26.2Very low75 Ų75143.6 Ų143.677%0.77380%0.797SS**  trans-175.999.1161.600000117.3
786R26.8Very low26.6Very low252 Ų252143.8 Ų143.895%0.95180%0.798SS**  trans68.7148.7162.2-69.2179169.2164.9-3.4120.4
787F25.2Very low26.8Very low202 Ų202141.6 Ų141.689%0.88680%0.803SS**  trans-76.5178.9173-56.8-96.5000112.7
788P29.8Very low27Very low113 Ų113142 Ų14273%0.73481%0.806SS**  cis-126.8174.4-19.125.2-4000113.6
789Q26.8Very low27.3Very low199 Ų199136 Ų13693%0.9379%0.791SS**  trans-81.6129.9158.7-77-179.3-28.300111.2
790R23.5Very low27.9Very low234 Ų234136.3 Ų136.388%0.88379%0.791SS**  trans-161.2163.3166-130.5-165.4176.7-171.2-0.5108.6
791P28.6Very low28.6Very low106 Ų106133 Ų13369%0.68878%0.779SS**  -119.6166.4-87.639.1-28.4000113.3
792S26.2Very low29.6Very low112 Ų112125.6 Ų125.678%0.78375%0.747SS**  trans-76.3125.5164.449.80000111.5
793P28.2Very low31.1Very low114 Ų114123.1 Ų123.174%0.7474%0.736SS**  trans-93.5172.5167.842.2-36.5000110.3
794P31Very low32.1Very low123 Ų123125.6 Ų125.680%0.79974%0.742SS**  -127.3116.8-78.629.9-11.2000112.2
795S26.8Very low34.4Very low108 Ų108125 Ų12576%0.75572%0.72SS**SBendtrans-90.1125.7169.955.10000111.1
796S31Very low36.9Very low108 Ų108124 Ų12476%0.75570%0.7SS**  trans45.3119.6162.159.30000118.1G798S796-G798 VanDerWaalsContact C-N 3.31Å; S796-G798 PolarHBondContact O-N 2.88Å
797S28.9Very low39.5Very low132 Ų132112.4 Ų112.492%0.92366%0.657SS**  trans-66.682.1173.8560000112.8
798G29.6Very low42.2Very low69 Ų69105.9 Ų105.971%0.71164%0.636SS**PPolyproline II helixtrans-70.7122.7165.500000110.2S796S796-G798 VanDerWaalsContact C-N 3.31Å; S796-G798 PolarHBondContact O-N 2.88Å
799D30.5Very low44.8Very low98 Ų98103.5 Ų103.552%0.52462%0.617SS.*PPolyproline II helixtrans-65.2132.9173.2-130.69.1000109.2R831D799-R831 IonicContact OD2-CZ 2.68Å; D799-R831 IonicContact OD2-NH1 3.51Å; D799-R831 IonicContact OD2-NH2 2.8Å; D799-R831 PolarHBondContact OD2-NH2 3.1Å
800P35.3Very low47.6Very low92 Ų9295 Ų9560%0.59758%0.577SS**PPolyproline II helixtrans-68143.9-177.327.8-34.6000111.6P802P800-P802 WeakPolarHBondContact O-CD 3.14Å
801D39.9Very low50.5Low111 Ų11185.7 Ų85.759%0.59454%0.544SS*.  trans-77.1114.7172.4-164.110.4000109.5S803D801-S803 PolarHBondContact O-N 3.01Å
802P46.7Very low53.2Low35 Ų3586.7 Ų86.723%0.22754%0.543CS..  trans-84.840-167.635.4-37000112.9P800 N804 W810 V828P800-P802 WeakPolarHBondContact O-CD 3.14Å; P802-N804 PolarHBondContact O-N 3.35Å; P802-N804 VanDerWaalsContact O-N 3.15Å; P802-W810 HydrophobicContact CB-CH2 4.04Å; P802-W810 HydrophobicContact CB-CZ2 3.58Å; P802-V828 HydrophobicContact CB-CG1 3.7Å; P802-V828 HydrophobicContact CB-CG2 4Å; P802-V828 HydrophobicContact CG-CG1 3.73Å; P802-V828 HydrophobicContact CG-CG2 4.06Å
803S53.3Low56.1Low81 Ų8183.7 Ų83.757%0.56652%0.517SS*.THydrogen-bonded Turntrans-9257.7-161.868.70000114.8D801D801-S803 PolarHBondContact O-N 3.01Å
804N55.8Low58.9Low170 Ų17078.2 Ų78.291%0.90948%0.482SS*.THydrogen-bonded Turntrans-174-6.5160-101.6-25.6000117.2P802P802-N804 PolarHBondContact O-N 3.35Å; P802-N804 VanDerWaalsContact O-N 3.15Å
805K72.8Confident61.5Low92 Ų9275.7 Ų75.740%0.447%0.466SS..  trans-80.2138.7173.7-72.4-169.9-164.2176.20111.1D809 W810 E813K805-D809 HydrophobicContact CD-CB 4.49Å; K805-W810 HydrophobicContact CB-CZ2 3.96Å; K805-W810 HydrophobicContact CD-CD2 4.45Å; K805-W810 HydrophobicContact CD-CH2 4.06Å; K805-W810 HydrophobicContact CD-CZ2 3.74Å; K805-W810 HydrophobicContact CG-CZ2 4.17Å; K805-W810 PolarHBondContact O-NE1 2.89Å; K805-E813 IonicContact NZ-OE1 2.68Å; K805-E813 PolarHBondContact NZ-OE1 2.93Å; K805-E813 IonicContact NZ-OE2 2.62Å; K805-E813 PolarHBondContact NZ-OE2 3.29Å
806P78.2Confident64.4Low54 Ų5473.2 Ų73.235%0.35144%0.444SS..  trans-71.2162175.232.1-36.5000112.2S808 D809P806-S808 WeakPolarHBondContact CG-OG 3.39Å; P806-S808 PolarHBondContact O-N 2.99Å; P806-D809 WeakPolarHBondContact CD-OD2 3.25Å; P806-D809 HydrophobicContact CG-CB 4.49Å; P806-D809 PolarHBondContact O-N 3.48Å
807L82.2Confident66.9Low7 Ų774 Ų744%0.03745%0.447CS..Hα-helixtrans-59.4-30.7-179.1178.462.1000113.5D809 W810 L811 V829 M832 E839 A840 A843L807-D809 PolarHBondContact O-N 3.28Å; L807-W810 PolarHBondContact O-N 3.49Å; L807-L811 HydrophobicContact CD1-CD1 4.44Å; L807-L811 HydrophobicContact CD1-CD2 4.39Å; L807-L811 HydrophobicContact CD1-CG 4.08Å; L807-L811 HydrophobicContact CG-CD1 4Å; L807-L811 HydrophobicContact CG-CG 4.13Å; L807-L811 VanDerWaalsContact O-CG 3.29Å; L807-L811 WeakPolarHBondContact O-CG 3.31Å; L807-L811 PolarHBondContact O-N 3.44Å; L807-V829 HydrophobicContact CD1-CG2 4.31Å; L807-M832 HydrophobicContact CD1-CE 3.47Å; L807-M832 VanDerWaalsContact CD1-CE 3.47Å; L807-M832 HydrophobicContact CD1-SD 4.37Å; L807-E839 HydrophobicContact CB-CB 3.95Å; L807-E839 WeakPolarHBondContact CB-OE2 3.47Å; L807-E839 HydrophobicContact CD2-CB 3.86Å; L807-E839 WeakPolarHBondContact CD2-O 3.19Å; L807-E839 PolarHBondContact N-OE2 2.86Å; L807-A840 HydrophobicContact CD2-CB 4.33Å; L807-A843 HydrophobicContact CD2-CB 3.75Å
808S81.6Confident69.6Low65 Ų6571.2 Ų71.246%0.45542%0.421SS..Hα-helixtrans-53.2-39.7177.346.90000113.1P806 L811 L812P806-S808 WeakPolarHBondContact CG-OG 3.39Å; P806-S808 PolarHBondContact O-N 2.99Å; S808-L811 PolarHBondContact O-N 2.91Å; S808-L812 WeakPolarHBondContact O-CG 3.4Å; S808-L812 PolarHBondContact O-N 3.11Å
809D83.4Confident72.4Confident63 Ų6369.9 Ų69.934%0.33740%0.399SS..Hα-helixtrans-82.5-37.6-168.8-577.3000109.3K805 P806 L807 L811 L812 E813K805-D809 HydrophobicContact CD-CB 4.49Å; P806-D809 WeakPolarHBondContact CD-OD2 3.25Å; P806-D809 HydrophobicContact CG-CB 4.49Å; P806-D809 PolarHBondContact O-N 3.48Å; L807-D809 PolarHBondContact O-N 3.28Å; D809-L811 VanDerWaalsContact C-N 3.32Å; D809-L811 PolarHBondContact O-N 2.97Å; D809-L812 PolarHBondContact O-N 3.49Å; D809-L812 VanDerWaalsContact O-N 3.15Å; D809-E813 PolarHBondContact O-N 3.19Å
810W85.6Confident75Confident21 Ų2169 Ų698%0.0840%0.399CS..Hα-helixtrans-65.6-31.5170-63.3116.3000113.3P802 K805 L807 L812 E813 A814 A825 V828 V829 M832P802-W810 HydrophobicContact CB-CH2 4.04Å; P802-W810 HydrophobicContact CB-CZ2 3.58Å; K805-W810 HydrophobicContact CB-CZ2 3.96Å; K805-W810 HydrophobicContact CD-CD2 4.45Å; K805-W810 HydrophobicContact CD-CH2 4.06Å; K805-W810 HydrophobicContact CD-CZ2 3.74Å; K805-W810 HydrophobicContact CG-CZ2 4.17Å; K805-W810 PolarHBondContact O-NE1 2.89Å; L807-W810 PolarHBondContact O-N 3.49Å; W810-L812 VanDerWaalsContact C-N 3.3Å; W810-E813 VanDerWaalsContact CZ3-OE2 3.27Å; W810-E813 WeakPolarHBondContact CZ3-OE2 3.41Å; W810-A814 VanDerWaalsContact O-CB 3.22Å; W810-A814 WeakPolarHBondContact O-CB 3.45Å; W810-A814 PolarHBondContact O-N 2.78Å; W810-A825 HydrophobicContact CE3-CB 4.26Å; W810-V828 HydrophobicContact CD2-CB 4.3Å; W810-V828 HydrophobicContact CD2-CG1 3.77Å; W810-V828 HydrophobicContact CE3-CB 4.26Å; W810-V828 HydrophobicContact CE3-CG1 4.19Å; W810-V828 HydrophobicContact CG-CG1 4.19Å; W810-V828 HydrophobicContact CH2-CG1 4.33Å; W810-V828 HydrophobicContact CH2-CG2 4.3Å; W810-V828 HydrophobicContact CZ2-CG1 3.93Å; W810-V828 HydrophobicContact CZ3-CB 4.45Å; W810-V828 HydrophobicContact CZ3-CG1 4.45Å; W810-V828 HydrophobicContact CZ3-CG2 4.25Å; W810-V829 HydrophobicContact CB-CG2 3.99Å; W810-M832 HydrophobicContact CB-CE 4.07Å; W810-M832 HydrophobicContact CG-CE 3.96Å
811L85.3Confident77.4Confident38 Ų3867.2 Ų67.220%0.19939%0.386CS..Hα-helixtrans-70.4-25.7172.6-69.8176.1000112.6L807 S808 D809 L850L807-L811 HydrophobicContact CD1-CD1 4.44Å; L807-L811 HydrophobicContact CD1-CD2 4.39Å; L807-L811 HydrophobicContact CD1-CG 4.08Å; L807-L811 HydrophobicContact CG-CD1 4Å; L807-L811 HydrophobicContact CG-CG 4.13Å; L807-L811 VanDerWaalsContact O-CG 3.29Å; L807-L811 WeakPolarHBondContact O-CG 3.31Å; L807-L811 PolarHBondContact O-N 3.44Å; S808-L811 PolarHBondContact O-N 2.91Å; D809-L811 VanDerWaalsContact C-N 3.32Å; D809-L811 PolarHBondContact O-N 2.97Å; L811-L850 HydrophobicContact CD2-CD1 4.3Å; L811-L850 HydrophobicContact CD2-CD2 3.72Å; L811-L850 HydrophobicContact CD2-CG 4.43Å
812L85.4Confident79.7Confident127 Ų12764 Ų6467%0.66537%0.366SS*.Hα-helixtrans-79.9-44.3172.3-69.1168.5000111.3S808 D809 W810 A814 C815 D816S808-L812 WeakPolarHBondContact O-CG 3.4Å; S808-L812 PolarHBondContact O-N 3.11Å; D809-L812 PolarHBondContact O-N 3.49Å; D809-L812 VanDerWaalsContact O-N 3.15Å; W810-L812 VanDerWaalsContact C-N 3.3Å; L812-A814 VanDerWaalsContact C-N 3.25Å; L812-A814 PolarHBondContact O-N 3.24Å; L812-C815 CarbonylContact O-C 3.57Å; L812-C815 WeakPolarHBondContact O-CA 3.45Å; L812-C815 WeakPolarHBondContact O-CB 3.45Å; L812-C815 PolarHBondContact O-N 3.03Å; L812-D816 PolarHBondContact O-N 2.96Å
813E87.3Confident81.6Confident49 Ų4962.6 Ų62.623%0.22936%0.357CS..Hα-helixtrans-65-27.8176.4-73.2169-152.600112.2K805 D809 W810 C815 D816 T821 R822 A825K805-E813 IonicContact NZ-OE1 2.68Å; K805-E813 PolarHBondContact NZ-OE1 2.93Å; K805-E813 IonicContact NZ-OE2 2.62Å; K805-E813 PolarHBondContact NZ-OE2 3.29Å; D809-E813 PolarHBondContact O-N 3.19Å; W810-E813 VanDerWaalsContact CZ3-OE2 3.27Å; W810-E813 WeakPolarHBondContact CZ3-OE2 3.41Å; E813-C815 PolarHBondContact O-N 3.31Å; E813-D816 WeakPolarHBondContact O-CB 3.45Å; E813-D816 PolarHBondContact O-N 3.27Å; E813-T821 HydrophobicContact CB-CG2 4.47Å; E813-R822 WeakPolarHBondContact O-CA 3.46Å; E813-A825 HydrophobicContact CB-CB 3.78Å
814A86.5Confident83.3Confident0 Ų061.5 Ų61.50%035%0.347CS..THydrogen-bonded Turntrans-72.31170.400000114.6W810 L812 R822 A825 L826 L850W810-A814 VanDerWaalsContact O-CB 3.22Å; W810-A814 WeakPolarHBondContact O-CB 3.45Å; W810-A814 PolarHBondContact O-N 2.78Å; L812-A814 VanDerWaalsContact C-N 3.25Å; L812-A814 PolarHBondContact O-N 3.24Å; A814-R822 PolarHBondContact O-NE 2.76Å; A814-A825 HydrophobicContact CB-CB 3.97Å; A814-L826 HydrophobicContact CB-CD2 3.93Å; A814-L826 HydrophobicContact CB-CG 4.29Å; A814-L850 HydrophobicContact CB-CD1 3.92Å; A814-L850 HydrophobicContact CB-CD2 3.86Å; A814-L850 HydrophobicContact CB-CG 4.31Å
815C85.9Confident84.8Confident69 Ų6953.4 Ų53.447%0.46630%0.304SS..THydrogen-bonded Turntrans-120.99.7171.7-68.80000112.6L812 E813L812-C815 CarbonylContact O-C 3.57Å; L812-C815 WeakPolarHBondContact O-CA 3.45Å; L812-C815 WeakPolarHBondContact O-CB 3.45Å; L812-C815 PolarHBondContact O-N 3.03Å; E813-C815 PolarHBondContact O-N 3.31Å
816D86.9Confident85.6Confident57 Ų5749 Ų4931%0.30529%0.285SS..  trans-65.4144.5178.9-161.3-78.5000111.6L812 E813 D818 T821 R822L812-D816 PolarHBondContact O-N 2.96Å; E813-D816 WeakPolarHBondContact O-CB 3.45Å; E813-D816 PolarHBondContact O-N 3.27Å; D816-D818 PolarHBondContact O-N 2.75Å; D816-D818 VanDerWaalsContact OD1-CB 3.3Å; D816-D818 WeakPolarHBondContact OD1-CB 3.37Å; D816-D818 PolarHBondContact OD1-N 2.93Å; D816-T821 HydrophobicContact CB-CG2 4.17Å; D816-R822 WeakPolarHBondContact O-CD 3.13Å
817P83.3Confident86.1Confident125 Ų12551.7 Ų51.781%0.81229%0.288SS*.SBendtrans-64.2-20.4172.726.3-36.7000114.4V819P817-V819 PolarHBondContact O-N 3.35Å
818D86.9Confident86.3Confident72 Ų7251.6 Ų51.639%0.38529%0.288SS..  trans-78.5114.4176.1-178.767.7000112D816 P820 T821 R822D816-D818 PolarHBondContact O-N 2.75Å; D816-D818 VanDerWaalsContact OD1-CB 3.3Å; D816-D818 WeakPolarHBondContact OD1-CB 3.37Å; D816-D818 PolarHBondContact OD1-N 2.93Å; D818-P820 WeakPolarHBondContact OD2-CD 3.36Å; D818-T821 PolarHBondContact O-N 3.42Å; D818-T821 VanDerWaalsContact OD2-CB 3.23Å; D818-T821 WeakPolarHBondContact OD2-CB 3.49Å; D818-T821 PolarHBondContact OD2-N 3.09Å; D818-T821 PolarHBondContact OD2-OG1 2.99Å; D818-R822 VanDerWaalsContact O-CB 3.27Å; D818-R822 WeakPolarHBondContact O-CB 3.46Å; D818-R822 PolarHBondContact O-N 3.22Å
819V87.9Confident86.6Confident41 Ų4148.5 Ų48.525%0.24827%0.266CS..Hα-helixtrans-56.3-48.2-177.1160.10000113.3P817 A823 D859 V862P817-V819 PolarHBondContact O-N 3.35Å; V819-A823 VanDerWaalsContact O-CB 3.31Å; V819-A823 WeakPolarHBondContact O-CB 3.27Å; V819-A823 PolarHBondContact O-N 3.13Å; V819-D859 HydrophobicContact CG1-CB 4.24Å; V819-D859 VanDerWaalsContact CG1-CG 3.45Å; V819-D859 VanDerWaalsContact CG1-OD1 3.28Å; V819-D859 WeakPolarHBondContact CG1-OD1 3.42Å; V819-D859 HydrophobicContact CG2-CB 4.18Å; V819-V862 HydrophobicContact CG1-CG2 4.19Å; V819-V862 HydrophobicContact CG2-CG2 4.46Å
820P84.6Confident86.9Confident80 Ų8045.9 Ų45.952%0.51925%0.253SS..Hα-helixtrans-57.4-50172.9-27.134.8000114D818 R822 A823 V824D818-P820 WeakPolarHBondContact OD2-CD 3.36Å; P820-R822 VanDerWaalsContact C-N 3.34Å; P820-R822 PolarHBondContact O-N 3.35Å; P820-A823 PolarHBondContact O-N 3.02Å; P820-V824 WeakPolarHBondContact O-CG2 3.32Å; P820-V824 PolarHBondContact O-N 3.06Å
821T85.3Confident87Confident54 Ų5448 Ų4833%0.33126%0.261SS..Hα-helixtrans-58.6-47.2179.9-61.40000110.8E813 D816 D818 V824 A825E813-T821 HydrophobicContact CB-CG2 4.47Å; D816-T821 HydrophobicContact CB-CG2 4.17Å; D818-T821 PolarHBondContact O-N 3.42Å; D818-T821 VanDerWaalsContact OD2-CB 3.23Å; D818-T821 WeakPolarHBondContact OD2-CB 3.49Å; D818-T821 PolarHBondContact OD2-N 3.09Å; D818-T821 PolarHBondContact OD2-OG1 2.99Å; T821-V824 PolarHBondContact O-N 3.21Å; T821-A825 WeakPolarHBondContact O-CB 3.29Å; T821-A825 PolarHBondContact O-N 3.06Å
822R89.3Confident87Confident44 Ų4447.3 Ų47.317%0.16626%0.257CS..Hα-helixtrans-60.3-46.7176.5-174.9170-177.5164.51.1112.8E813 A814 D816 D818 P820 V824 A825 L826 N854 V862E813-R822 WeakPolarHBondContact O-CA 3.46Å; A814-R822 PolarHBondContact O-NE 2.76Å; D816-R822 WeakPolarHBondContact O-CD 3.13Å; D818-R822 VanDerWaalsContact O-CB 3.27Å; D818-R822 WeakPolarHBondContact O-CB 3.46Å; D818-R822 PolarHBondContact O-N 3.22Å; P820-R822 VanDerWaalsContact C-N 3.34Å; P820-R822 PolarHBondContact O-N 3.35Å; R822-V824 PolarHBondContact O-N 2.81Å; R822-A825 PolarHBondContact O-N 2.98Å; R822-L826 WeakPolarHBondContact O-CG 3.28Å; R822-L826 PolarHBondContact O-N 2.75Å; R822-N854 VanDerWaalsContact CZ-OD1 3.23Å; R822-N854 PolarHBondContact NE-OD1 3.27Å; R822-N854 PolarHBondContact NH2-OD1 2.93Å; R822-V862 HydrophobicContact CG-CG1 4.34Å; R822-V862 HydrophobicContact CG-CG2 4.25Å
823A87.1Confident87.1Confident5 Ų541.4 Ų41.44%0.04123%0.226CC..Hα-helixtrans-65.4-37.7177.800000112.5V819 P820 R827 F861V819-A823 VanDerWaalsContact O-CB 3.31Å; V819-A823 WeakPolarHBondContact O-CB 3.27Å; V819-A823 PolarHBondContact O-N 3.13Å; P820-A823 PolarHBondContact O-N 3.02Å; A823-R827 WeakPolarHBondContact O-CD 3.43Å; A823-R827 VanDerWaalsContact O-CG 3.26Å; A823-R827 WeakPolarHBondContact O-CG 3.5Å; A823-R827 PolarHBondContact O-N 3.2Å; A823-R827 VanDerWaalsContact O-N 3.15Å; A823-F861 HydrophobicContact CB-CB 4.18Å
824V87.7Confident87.1Confident58 Ų5844.4 Ų44.435%0.35224%0.24SC..Hα-helixtrans-64.7-46.9173.51700000110.8P820 T821 R822 L826 R827 V828P820-V824 WeakPolarHBondContact O-CG2 3.32Å; P820-V824 PolarHBondContact O-N 3.06Å; T821-V824 PolarHBondContact O-N 3.21Å; R822-V824 PolarHBondContact O-N 2.81Å; V824-L826 PolarHBondContact O-N 2.97Å; V824-R827 WeakPolarHBondContact O-CB 3.39Å; V824-R827 PolarHBondContact O-N 3.38Å; V824-R827 VanDerWaalsContact O-N 3.09Å; V824-V828 HydrophobicContact CG1-CG2 4.35Å; V824-V828 WeakPolarHBondContact O-CG2 3.29Å; V824-V828 PolarHBondContact O-N 3.44Å
825A87.4Confident87Confident1 Ų153.3 Ų53.31%0.00827%0.273CS..Hα-helixtrans-58.5-45178.200000112.2W810 E813 A814 T821 R822 R827 V828 V829W810-A825 HydrophobicContact CE3-CB 4.26Å; E813-A825 HydrophobicContact CB-CB 3.78Å; A814-A825 HydrophobicContact CB-CB 3.97Å; T821-A825 WeakPolarHBondContact O-CB 3.29Å; T821-A825 PolarHBondContact O-N 3.06Å; R822-A825 PolarHBondContact O-N 2.98Å; A825-R827 VanDerWaalsContact C-N 3.31Å; A825-R827 PolarHBondContact O-N 2.97Å; A825-V828 PolarHBondContact O-N 2.94Å; A825-V828 VanDerWaalsContact O-N 3.15Å; A825-V829 WeakPolarHBondContact O-CG2 3.26Å; A825-V829 PolarHBondContact O-N 2.72Å
826L89.6Confident86.8Confident0 Ų057.9 Ų57.90%028%0.281CS..Hα-helixtrans-59.5-38.5174.3-68.1172.3000112.8A814 R822 V824 T830 L850 F851 N854 V862A814-L826 HydrophobicContact CB-CD2 3.93Å; A814-L826 HydrophobicContact CB-CG 4.29Å; R822-L826 WeakPolarHBondContact O-CG 3.28Å; R822-L826 PolarHBondContact O-N 2.75Å; V824-L826 PolarHBondContact O-N 2.97Å; L826-T830 WeakPolarHBondContact O-CB 3.38Å; L826-T830 PolarHBondContact O-N 2.93Å; L826-T830 PolarHBondContact O-OG1 3.31Å; L826-L850 HydrophobicContact CD2-CD2 3.89Å; L826-L850 HydrophobicContact CD2-CG 4.34Å; L826-F851 HydrophobicContact CB-CE1 4.26Å; L826-F851 HydrophobicContact CD2-CD1 3.8Å; L826-F851 HydrophobicContact CD2-CE1 3.8Å; L826-N854 HydrophobicContact CD1-CB 3.99Å; L826-N854 HydrophobicContact CD2-CB 4.28Å; L826-V862 HydrophobicContact CD1-CG1 3.87Å
827R89.1Confident86.7Confident109 Ų10958.8 Ų58.841%0.41128%0.283SS..Hα-helixtrans-68.7-37.1175.1-69.6167.3-176.4-160.10.7112.2A823 V824 A825 T830 R831 S865A823-R827 WeakPolarHBondContact O-CD 3.43Å; A823-R827 VanDerWaalsContact O-CG 3.26Å; A823-R827 WeakPolarHBondContact O-CG 3.5Å; A823-R827 PolarHBondContact O-N 3.2Å; A823-R827 VanDerWaalsContact O-N 3.15Å; V824-R827 WeakPolarHBondContact O-CB 3.39Å; V824-R827 PolarHBondContact O-N 3.38Å; V824-R827 VanDerWaalsContact O-N 3.09Å; A825-R827 VanDerWaalsContact C-N 3.31Å; A825-R827 PolarHBondContact O-N 2.97Å; R827-T830 WeakPolarHBondContact O-CB 3.44Å; R827-T830 PolarHBondContact O-N 2.71Å; R827-R831 WeakPolarHBondContact O-CG 3.37Å; R827-R831 PolarHBondContact O-N 2.99Å; R827-S865 PolarHBondContact NE-OG 3.08Å; R827-S865 VanDerWaalsContact NE-OG 3.17Å
828V86.7Confident86.6Confident6 Ų656.5 Ų56.54%0.03627%0.268CS..Hα-helixtrans-68.4-43.3175.3175.30000111P802 W810 V824 A825 T830 R831 M832P802-V828 HydrophobicContact CB-CG1 3.7Å; P802-V828 HydrophobicContact CB-CG2 4Å; P802-V828 HydrophobicContact CG-CG1 3.73Å; P802-V828 HydrophobicContact CG-CG2 4.06Å; W810-V828 HydrophobicContact CD2-CB 4.3Å; W810-V828 HydrophobicContact CD2-CG1 3.77Å; W810-V828 HydrophobicContact CE3-CB 4.26Å; W810-V828 HydrophobicContact CE3-CG1 4.19Å; W810-V828 HydrophobicContact CG-CG1 4.19Å; W810-V828 HydrophobicContact CH2-CG1 4.33Å; W810-V828 HydrophobicContact CH2-CG2 4.3Å; W810-V828 HydrophobicContact CZ2-CG1 3.93Å; W810-V828 HydrophobicContact CZ3-CB 4.45Å; W810-V828 HydrophobicContact CZ3-CG1 4.45Å; W810-V828 HydrophobicContact CZ3-CG2 4.25Å; V824-V828 HydrophobicContact CG1-CG2 4.35Å; V824-V828 WeakPolarHBondContact O-CG2 3.29Å; V824-V828 PolarHBondContact O-N 3.44Å; A825-V828 PolarHBondContact O-N 2.94Å; A825-V828 VanDerWaalsContact O-N 3.15Å; V828-T830 VanDerWaalsContact C-N 3.29Å; V828-T830 PolarHBondContact O-N 3.43Å; V828-R831 WeakPolarHBondContact O-CB 3.32Å; V828-R831 PolarHBondContact O-N 2.92Å; V828-R831 VanDerWaalsContact O-N 3.16Å; V828-M832 HydrophobicContact CG1-CE 4.29Å; V828-M832 PolarHBondContact O-N 3.29Å
829V88.3Confident86.3Confident0 Ų057 Ų570%027%0.268CS..Hα-helixtrans-58.9-41.7171.6174.80000110.9L807 W810 A825 R831 M832 V833 V847 F851L807-V829 HydrophobicContact CD1-CG2 4.31Å; W810-V829 HydrophobicContact CB-CG2 3.99Å; A825-V829 WeakPolarHBondContact O-CG2 3.26Å; A825-V829 PolarHBondContact O-N 2.72Å; V829-R831 PolarHBondContact O-N 3.14Å; V829-M832 HydrophobicContact CB-CE 4.49Å; V829-M832 HydrophobicContact CG2-CE 4.01Å; V829-M832 PolarHBondContact O-N 3.05Å; V829-M832 VanDerWaalsContact O-N 3.14Å; V829-V833 WeakPolarHBondContact O-CG2 3.43Å; V829-V833 PolarHBondContact O-N 2.66Å; V829-V847 HydrophobicContact CG1-CG1 3.84Å; V829-V847 HydrophobicContact CG1-CG2 4.42Å; V829-F851 HydrophobicContact CB-CZ 4.28Å; V829-F851 HydrophobicContact CG1-CE2 4.19Å; V829-F851 HydrophobicContact CG1-CZ 3.79Å
830T89.3Confident86Confident8 Ų855.2 Ų55.25%0.04926%0.258CS..Hα-helixtrans-58.3-44.9174.3-580000111.9L826 R827 V828 M832 V833 Q834 G869 V872L826-T830 WeakPolarHBondContact O-CB 3.38Å; L826-T830 PolarHBondContact O-N 2.93Å; L826-T830 PolarHBondContact O-OG1 3.31Å; R827-T830 WeakPolarHBondContact O-CB 3.44Å; R827-T830 PolarHBondContact O-N 2.71Å; V828-T830 VanDerWaalsContact C-N 3.29Å; V828-T830 PolarHBondContact O-N 3.43Å; T830-M832 VanDerWaalsContact C-N 3.34Å; T830-M832 PolarHBondContact O-N 2.96Å; T830-V833 PolarHBondContact O-N 2.99Å; T830-Q834 WeakPolarHBondContact O-CG 3.43Å; T830-Q834 PolarHBondContact O-N 3.28Å; T830-G869 WeakPolarHBondContact OG1-CA 3.45Å; T830-V872 HydrophobicContact CG2-CB 4.09Å; T830-V872 HydrophobicContact CG2-CG1 4.12Å; T830-V872 HydrophobicContact CG2-CG2 3.9Å
831R88.1Confident85.8Confident66 Ų6654.1 Ų54.125%0.24925%0.249CC..Hα-helixtrans-62.1-38.3174.4-66.9173.2-157.3171.28.9112.6D799 R827 V828 V829 V833 Q834 R835D799-R831 IonicContact OD2-CZ 2.68Å; D799-R831 IonicContact OD2-NH1 3.51Å; D799-R831 IonicContact OD2-NH2 2.8Å; D799-R831 PolarHBondContact OD2-NH2 3.1Å; R827-R831 WeakPolarHBondContact O-CG 3.37Å; R827-R831 PolarHBondContact O-N 2.99Å; V828-R831 WeakPolarHBondContact O-CB 3.32Å; V828-R831 PolarHBondContact O-N 2.92Å; V828-R831 VanDerWaalsContact O-N 3.16Å; V829-R831 PolarHBondContact O-N 3.14Å; R831-V833 VanDerWaalsContact C-N 3.32Å; R831-Q834 PolarHBondContact O-N 3.36Å; R831-R835 WeakPolarHBondContact O-CB 3.45Å; R831-R835 WeakPolarHBondContact O-CG 3.46Å; R831-R835 PolarHBondContact O-N 3.01Å
832M85.7Confident85.7Confident23 Ų2359.7 Ų59.711%0.11327%0.272CS..Hα-helixtrans-65.4-35.5177.2-71.5-167.3-76.200112.2L807 W810 V828 V829 T830 R836 H837 A840L807-M832 HydrophobicContact CD1-CE 3.47Å; L807-M832 VanDerWaalsContact CD1-CE 3.47Å; L807-M832 HydrophobicContact CD1-SD 4.37Å; W810-M832 HydrophobicContact CB-CE 4.07Å; W810-M832 HydrophobicContact CG-CE 3.96Å; V828-M832 HydrophobicContact CG1-CE 4.29Å; V828-M832 PolarHBondContact O-N 3.29Å; V829-M832 HydrophobicContact CB-CE 4.49Å; V829-M832 HydrophobicContact CG2-CE 4.01Å; V829-M832 PolarHBondContact O-N 3.05Å; V829-M832 VanDerWaalsContact O-N 3.14Å; T830-M832 VanDerWaalsContact C-N 3.34Å; T830-M832 PolarHBondContact O-N 2.96Å; M832-R836 PolarHBondContact O-N 3.45Å; M832-H837 HydrophobicContact CB-CB 4.11Å; M832-H837 WeakPolarHBondContact O-CB 3.01Å; M832-H837 PolarHBondContact O-N 3.26Å; M832-A840 HydrophobicContact CB-CB 4.29Å
833V87.4Confident85.4Confident3 Ų358.5 Ų58.52%0.01827%0.271CS..Hα-helixtrans-67.6-49.1171.8177.30000111V829 T830 R831 R835 R836 A840 V847 V872 L873V829-V833 WeakPolarHBondContact O-CG2 3.43Å; V829-V833 PolarHBondContact O-N 2.66Å; T830-V833 PolarHBondContact O-N 2.99Å; R831-V833 VanDerWaalsContact C-N 3.32Å; V833-R835 VanDerWaalsContact C-N 3.29Å; V833-R835 PolarHBondContact O-N 3.21Å; V833-R836 WeakPolarHBondContact O-CA 3.47Å; V833-R836 PolarHBondContact O-N 2.95Å; V833-A840 HydrophobicContact CG2-CB 4.39Å; V833-V847 HydrophobicContact CG2-CG1 4.08Å; V833-V872 HydrophobicContact CB-CG1 3.96Å; V833-V872 HydrophobicContact CG1-CG1 3.65Å; V833-L873 HydrophobicContact CB-CD1 4.33Å; V833-L873 HydrophobicContact CG1-CD1 3.61Å; V833-L873 HydrophobicContact CG2-CD1 3.7Å
834Q86.4Confident85.2Confident111 Ų11159.9 Ų59.952%0.51928%0.277SS..Hα-helixtrans-55.2-43.2177-70.9176.7-34.100112.4T830 R831 R836 V872T830-Q834 WeakPolarHBondContact O-CG 3.43Å; T830-Q834 PolarHBondContact O-N 3.28Å; R831-Q834 PolarHBondContact O-N 3.36Å; Q834-R836 PolarHBondContact O-N 3.25Å; Q834-V872 HydrophobicContact CG-CB 4.41Å; Q834-V872 HydrophobicContact CG-CG1 3.51Å; Q834-V872 HydrophobicContact CG-CG2 3.96Å
835R85.5Confident85.1Confident188 Ų18864.2 Ų64.271%0.70929%0.293SS*.THydrogen-bonded Turntrans-78.13.3177-67.2-179.9176.3179.2-0.7113.6R831 V833 H837R831-R835 WeakPolarHBondContact O-CB 3.45Å; R831-R835 WeakPolarHBondContact O-CG 3.46Å; R831-R835 PolarHBondContact O-N 3.01Å; V833-R835 VanDerWaalsContact C-N 3.29Å; V833-R835 PolarHBondContact O-N 3.21Å; R835-H837 VanDerWaalsContact C-N 3.26Å; R835-H837 PolarHBondContact O-N 3.09Å
836R81.5Confident84.9Confident164 Ų16471 Ų7162%0.61932%0.322SS*.THydrogen-bonded Turntrans49.342.1-177.5-60.9-175.8175.8-169-2.6113.3M832 V833 Q834M832-R836 PolarHBondContact O-N 3.45Å; V833-R836 WeakPolarHBondContact O-CA 3.47Å; V833-R836 PolarHBondContact O-N 2.95Å; Q834-R836 PolarHBondContact O-N 3.25Å
837H83.7Confident84.8Confident77 Ų7771 Ų7136%0.35632%0.322SS..  trans-60.8130.5-177.6-166.9-106.2000110.9M832 R835 E839 A840 V841M832-H837 HydrophobicContact CB-CB 4.11Å; M832-H837 WeakPolarHBondContact O-CB 3.01Å; M832-H837 PolarHBondContact O-N 3.26Å; R835-H837 VanDerWaalsContact C-N 3.26Å; R835-H837 PolarHBondContact O-N 3.09Å; H837-E839 VanDerWaalsContact C-N 3.28Å; H837-E839 PolarHBondContact O-N 3.46Å; H837-E839 VanDerWaalsContact O-N 3.12Å; H837-A840 HydrophobicContact CB-CB 4.46Å; H837-A840 WeakPolarHBondContact O-CA 3.48Å; H837-A840 WeakPolarHBondContact O-CB 3.5Å; H837-A840 PolarHBondContact O-N 2.92Å; H837-V841 WeakPolarHBondContact O-CG2 3.38Å; H837-V841 PolarHBondContact O-N 2.97Å
838P80.7Confident84.7Confident77 Ų7767 Ų6750%0.531%0.309SS..Hα-helixtrans-58.4-34.7-166.720.2-33.4000114.1V841 Q842P838-V841 PolarHBondContact O-N 3.34Å; P838-Q842 WeakPolarHBondContact O-CG 3.41Å; P838-Q842 PolarHBondContact O-N 3.02Å
839E82.1Confident84.7Confident83 Ų8370 Ų7039%0.38833%0.327SS..Hα-helixtrans-63-41.5174.3-60.2-175.2166.700112L807 H837 Q842 A843L807-E839 HydrophobicContact CB-CB 3.95Å; L807-E839 WeakPolarHBondContact CB-OE2 3.47Å; L807-E839 HydrophobicContact CD2-CB 3.86Å; L807-E839 WeakPolarHBondContact CD2-O 3.19Å; L807-E839 PolarHBondContact N-OE2 2.86Å; H837-E839 VanDerWaalsContact C-N 3.28Å; H837-E839 PolarHBondContact O-N 3.46Å; H837-E839 VanDerWaalsContact O-N 3.12Å; E839-Q842 PolarHBondContact O-N 3.07Å; E839-A843 WeakPolarHBondContact O-CB 3.48Å; E839-A843 PolarHBondContact O-N 3.11Å
840A80.9Confident84.8Confident3 Ų370.5 Ų70.53%0.02533%0.33CS..Hα-helixtrans-71.6-33.6179.400000111.8L807 M832 V833 H837 A843 Q844L807-A840 HydrophobicContact CD2-CB 4.33Å; M832-A840 HydrophobicContact CB-CB 4.29Å; V833-A840 HydrophobicContact CG2-CB 4.39Å; H837-A840 HydrophobicContact CB-CB 4.46Å; H837-A840 WeakPolarHBondContact O-CA 3.48Å; H837-A840 WeakPolarHBondContact O-CB 3.5Å; H837-A840 PolarHBondContact O-N 2.92Å; A840-A843 PolarHBondContact O-N 3.41Å; A840-Q844 PolarHBondContact O-N 2.99Å; A840-Q844 VanDerWaalsContact O-N 3.17Å
841V80.6Confident84.9Confident56 Ų5670.1 Ų70.134%0.33933%0.327SS..Hα-helixtrans-62.4-48.9171-174.70000110.6H837 P838 A843 Q844 Y877H837-V841 WeakPolarHBondContact O-CG2 3.38Å; H837-V841 PolarHBondContact O-N 2.97Å; P838-V841 PolarHBondContact O-N 3.34Å; V841-A843 VanDerWaalsContact C-N 3.32Å; V841-A843 PolarHBondContact O-N 2.89Å; V841-Q844 WeakPolarHBondContact O-CB 3.35Å; V841-Q844 PolarHBondContact O-N 3.46Å; V841-Y877 HydrophobicContact CG1-CE1 4.46Å; V841-Y877 VanDerWaalsContact CG2-OH 3.28Å; V841-Y877 WeakPolarHBondContact CG2-OH 3.35Å
842Q82.6Confident84.8Confident172 Ų17268.1 Ų68.180%0.80432%0.322SS*.Hα-helixtrans-69.2-29.4-179.8-69176.817.200112.8P838 E839P838-Q842 WeakPolarHBondContact O-CG 3.41Å; P838-Q842 PolarHBondContact O-N 3.02Å; E839-Q842 PolarHBondContact O-N 3.07Å
843A83.6Confident84.8Confident18 Ų1871.7 Ų71.715%0.14934%0.338CS..THydrogen-bonded Turntrans-92.710.7179.100000114.5L807 E839 A840 V841 Q845 K846 V847L807-A843 HydrophobicContact CD2-CB 3.75Å; E839-A843 WeakPolarHBondContact O-CB 3.48Å; E839-A843 PolarHBondContact O-N 3.11Å; A840-A843 PolarHBondContact O-N 3.41Å; V841-A843 VanDerWaalsContact C-N 3.32Å; V841-A843 PolarHBondContact O-N 2.89Å; A843-Q845 VanDerWaalsContact C-N 3.28Å; A843-Q845 PolarHBondContact O-N 3.5Å; A843-K846 WeakPolarHBondContact O-CA 3.49Å; A843-K846 WeakPolarHBondContact O-CB 3.4Å; A843-K846 PolarHBondContact O-N 3.4Å; A843-V847 HydrophobicContact CB-CG2 4.3Å; A843-V847 PolarHBondContact O-N 3.5Å
844Q83.3Confident84.8Confident35 Ų3571.6 Ų71.616%0.16434%0.337CS..Hα-helixtrans-43.3-46.4-171.4-175.9-167.2-13.200114.3A840 V841 K846 V847 L848 Y877A840-Q844 PolarHBondContact O-N 2.99Å; A840-Q844 VanDerWaalsContact O-N 3.17Å; V841-Q844 WeakPolarHBondContact O-CB 3.35Å; V841-Q844 PolarHBondContact O-N 3.46Å; Q844-K846 PolarHBondContact O-N 3.27Å; Q844-V847 PolarHBondContact O-N 2.87Å; Q844-L848 WeakPolarHBondContact O-CB 3.49Å; Q844-L848 PolarHBondContact O-N 2.88Å; Q844-Y877 HydrophobicContact CG-CD2 4.15Å; Q844-Y877 HydrophobicContact CG-CE2 4.48Å; Q844-Y877 VanDerWaalsContact NE2-CB 3.27Å
845Q83.9Confident84.9Confident148 Ų14866.3 Ų66.369%0.69231%0.313SS*.Hα-helixtrans-65.9-36.5179.7-69.7-177.6-11.400113.2A843 L848 T849A843-Q845 VanDerWaalsContact C-N 3.28Å; A843-Q845 PolarHBondContact O-N 3.5Å; Q845-L848 PolarHBondContact O-N 3.41Å; Q845-T849 PolarHBondContact O-N 3.16Å; Q845-T849 PolarHBondContact O-OG1 2.93Å
846K84.1Confident84.8Confident144 Ų14459.4 Ų59.463%0.62629%0.289SS*.Hα-helixtrans-72.5-35.4176.1-60.6-178.1179.1-179.10111.9A843 Q844 T849 L850A843-K846 WeakPolarHBondContact O-CA 3.49Å; A843-K846 WeakPolarHBondContact O-CB 3.4Å; A843-K846 PolarHBondContact O-N 3.4Å; Q844-K846 PolarHBondContact O-N 3.27Å; K846-T849 PolarHBondContact O-OG1 3.02Å; K846-T849 VanDerWaalsContact O-OG1 3.07Å; K846-L850 VanDerWaalsContact O-CB 3.27Å; K846-L850 WeakPolarHBondContact O-CB 3.38Å; K846-L850 PolarHBondContact O-N 3.35Å
847V88.2Confident85Confident0 Ų053.7 Ų53.70%027%0.269CS..Hα-helixtrans-67.7-38.3174.1175.20000110.4V829 V833 A843 Q844 F851 L873V829-V847 HydrophobicContact CG1-CG1 3.84Å; V829-V847 HydrophobicContact CG1-CG2 4.42Å; V833-V847 HydrophobicContact CG2-CG1 4.08Å; A843-V847 HydrophobicContact CB-CG2 4.3Å; A843-V847 PolarHBondContact O-N 3.5Å; Q844-V847 PolarHBondContact O-N 2.87Å; V847-F851 HydrophobicContact CG1-CD2 3.76Å; V847-F851 HydrophobicContact CG1-CE2 3.42Å; V847-F851 VanDerWaalsContact CG1-CE2 3.42Å; V847-F851 HydrophobicContact CG1-CZ 4.35Å; V847-F851 WeakPolarHBondContact O-CD2 3.38Å; V847-F851 PolarHBondContact O-N 2.94Å; V847-F851 VanDerWaalsContact O-N 3.07Å; V847-L873 HydrophobicContact CG1-CD1 3.91Å; V847-L873 HydrophobicContact CG1-CD2 4.45Å
848L86.9Confident84.8Confident24 Ų2455.9 Ų55.913%0.12628%0.279CS..Hα-helixtrans-63.1-49.317317960.8000112.1Q844 Q845 F851 L852 L870 L873 I881 R884Q844-L848 WeakPolarHBondContact O-CB 3.49Å; Q844-L848 PolarHBondContact O-N 2.88Å; Q845-L848 PolarHBondContact O-N 3.41Å; L848-F851 PolarHBondContact O-N 3Å; L848-L852 HydrophobicContact CD1-CD1 4.01Å; L848-L852 HydrophobicContact CD1-CG 4.26Å; L848-L852 HydrophobicContact CG-CD1 4.03Å; L848-L852 WeakPolarHBondContact O-CG 3.33Å; L848-L852 PolarHBondContact O-N 3.32Å; L848-L870 HydrophobicContact CD1-CD2 3.74Å; L848-L873 HydrophobicContact CB-CD2 3.84Å; L848-L873 HydrophobicContact CD1-CD2 4.03Å; L848-I881 HydrophobicContact CD1-CG2 4.32Å; L848-I881 HydrophobicContact CD2-CG1 4.46Å; L848-R884 HydrophobicContact CD2-CG 4.37Å
849T86.7Confident85.1Confident70 Ų7054.5 Ų54.543%0.42927%0.268SS..Hα-helixtrans-63.6-43.1178.154.60000111.8Q845 K846 F851 L852 E853Q845-T849 PolarHBondContact O-N 3.16Å; Q845-T849 PolarHBondContact O-OG1 2.93Å; K846-T849 PolarHBondContact O-OG1 3.02Å; K846-T849 VanDerWaalsContact O-OG1 3.07Å; T849-F851 PolarHBondContact O-N 2.96Å; T849-L852 PolarHBondContact O-N 3.19Å; T849-L852 VanDerWaalsContact O-N 3.16Å; T849-E853 WeakPolarHBondContact O-CB 3.22Å; T849-E853 VanDerWaalsContact O-CG 3.29Å; T849-E853 WeakPolarHBondContact O-CG 3.42Å; T849-E853 PolarHBondContact O-N 3.11Å
850L89.9Confident85.3Confident10 Ų1052.7 Ų52.75%0.05226%0.264CS..Hα-helixtrans-53.3-50.1174.5-178.191.5000111.6L811 A814 L826 K846 E853 N854L811-L850 HydrophobicContact CD2-CD1 4.3Å; L811-L850 HydrophobicContact CD2-CD2 3.72Å; L811-L850 HydrophobicContact CD2-CG 4.43Å; A814-L850 HydrophobicContact CB-CD1 3.92Å; A814-L850 HydrophobicContact CB-CD2 3.86Å; A814-L850 HydrophobicContact CB-CG 4.31Å; L826-L850 HydrophobicContact CD2-CD2 3.89Å; L826-L850 HydrophobicContact CD2-CG 4.34Å; K846-L850 VanDerWaalsContact O-CB 3.27Å; K846-L850 WeakPolarHBondContact O-CB 3.38Å; K846-L850 PolarHBondContact O-N 3.35Å; L850-E853 PolarHBondContact O-N 3.18Å; L850-N854 WeakPolarHBondContact O-CB 3.35Å; L850-N854 PolarHBondContact O-N 3.01Å; L850-N854 PolarHBondContact O-ND2 3.22Å
851F90.9Very high85.6Confident0 Ų058.3 Ų58.30%029%0.288CS..Hα-helixtrans-68.6-33.8-179.7-73-51.5000113L826 V829 V847 L848 T849 N854 L855 A866 L870L826-F851 HydrophobicContact CB-CE1 4.26Å; L826-F851 HydrophobicContact CD2-CD1 3.8Å; L826-F851 HydrophobicContact CD2-CE1 3.8Å; V829-F851 HydrophobicContact CB-CZ 4.28Å; V829-F851 HydrophobicContact CG1-CE2 4.19Å; V829-F851 HydrophobicContact CG1-CZ 3.79Å; V847-F851 HydrophobicContact CG1-CD2 3.76Å; V847-F851 HydrophobicContact CG1-CE2 3.42Å; V847-F851 VanDerWaalsContact CG1-CE2 3.42Å; V847-F851 HydrophobicContact CG1-CZ 4.35Å; V847-F851 WeakPolarHBondContact O-CD2 3.38Å; V847-F851 PolarHBondContact O-N 2.94Å; V847-F851 VanDerWaalsContact O-N 3.07Å; L848-F851 PolarHBondContact O-N 3Å; T849-F851 PolarHBondContact O-N 2.96Å; F851-N854 PolarHBondContact O-N 3.01Å; F851-L855 PolarHBondContact O-N 3.41Å; F851-L855 VanDerWaalsContact O-N 3.15Å; F851-A866 HydrophobicContact CD1-CB 4.37Å; F851-L870 HydrophobicContact CB-CD1 4.39Å; F851-L870 HydrophobicContact CB-CD2 3.54Å; F851-L870 HydrophobicContact CB-CG 3.69Å; F851-L870 HydrophobicContact CG-CD2 4.43Å; F851-L870 HydrophobicContact CG-CG 4.45Å
852L86.8Confident86Confident25 Ų2555.7 Ų55.713%0.13127%0.272CS..Hα-helixtrans-68.2-43174.7-69.5170.6000111.9L848 T849 N854 L855 L870 L885L848-L852 HydrophobicContact CD1-CD1 4.01Å; L848-L852 HydrophobicContact CD1-CG 4.26Å; L848-L852 HydrophobicContact CG-CD1 4.03Å; L848-L852 WeakPolarHBondContact O-CG 3.33Å; L848-L852 PolarHBondContact O-N 3.32Å; T849-L852 PolarHBondContact O-N 3.19Å; T849-L852 VanDerWaalsContact O-N 3.16Å; L852-N854 VanDerWaalsContact C-N 3.26Å; L852-N854 PolarHBondContact O-N 2.94Å; L852-L855 WeakPolarHBondContact O-CB 3.36Å; L852-L855 PolarHBondContact O-N 2.99Å; L852-L870 HydrophobicContact CD2-CD1 4.09Å; L852-L870 HydrophobicContact CD2-CD2 4.26Å; L852-L870 HydrophobicContact CG-CD2 4.3Å; L852-L885 HydrophobicContact CD2-CD2 4.24Å
853E86.1Confident86.3Confident97 Ų9750.3 Ų50.345%0.45325%0.245SC..Hα-helixtrans-62.5-33174.1-71.3163.3-162.200112.1T849 L850 L855T849-E853 WeakPolarHBondContact O-CB 3.22Å; T849-E853 VanDerWaalsContact O-CG 3.29Å; T849-E853 WeakPolarHBondContact O-CG 3.42Å; T849-E853 PolarHBondContact O-N 3.11Å; L850-E853 PolarHBondContact O-N 3.18Å; E853-L855 VanDerWaalsContact C-N 3.3Å
854N87.7Confident86.5Confident1 Ų153.1 Ų53.11%0.00526%0.257CS..THydrogen-bonded Turntrans-80.1-7.3174.3-80.2-86000114R822 L826 L850 F851 L852 H857 V862 A866R822-N854 VanDerWaalsContact CZ-OD1 3.23Å; R822-N854 PolarHBondContact NE-OD1 3.27Å; R822-N854 PolarHBondContact NH2-OD1 2.93Å; L826-N854 HydrophobicContact CD1-CB 3.99Å; L826-N854 HydrophobicContact CD2-CB 4.28Å; L850-N854 WeakPolarHBondContact O-CB 3.35Å; L850-N854 PolarHBondContact O-N 3.01Å; L850-N854 PolarHBondContact O-ND2 3.22Å; F851-N854 PolarHBondContact O-N 3.01Å; L852-N854 VanDerWaalsContact C-N 3.26Å; L852-N854 PolarHBondContact O-N 2.94Å; N854-H857 WeakPolarHBondContact O-CB 2.76Å; N854-V862 HydrophobicContact CB-CG1 4.19Å; N854-V862 WeakPolarHBondContact OD1-CG1 3.37Å; N854-A866 HydrophobicContact CB-CB 3.88Å
855L87.1Confident86.8Confident1 Ų151.7 Ų51.71%0.00525%0.251CS..THydrogen-bonded Turntrans-79.8-34.2176.3-158.367.5000111.9F851 L852 E853 H857 A866 I867 L870 T906 K909 V910F851-L855 PolarHBondContact O-N 3.41Å; F851-L855 VanDerWaalsContact O-N 3.15Å; L852-L855 WeakPolarHBondContact O-CB 3.36Å; L852-L855 PolarHBondContact O-N 2.99Å; E853-L855 VanDerWaalsContact C-N 3.3Å; L855-H857 PolarHBondContact O-N 3.25Å; L855-A866 HydrophobicContact CD1-CB 4.44Å; L855-I867 HydrophobicContact CD1-CD1 4.29Å; L855-I867 HydrophobicContact CD1-CG1 3.48Å; L855-I867 VanDerWaalsContact CD1-CG1 3.48Å; L855-L870 HydrophobicContact CD1-CD1 4.24Å; L855-L870 HydrophobicContact CD2-CD1 4.13Å; L855-T906 HydrophobicContact CD2-CG2 4.31Å; L855-K909 HydrophobicContact CD1-CB 3.93Å; L855-K909 HydrophobicContact CD1-CD 4.45Å; L855-K909 HydrophobicContact CD2-CB 4.11Å; L855-K909 HydrophobicContact CG-CB 3.85Å; L855-K909 HydrophobicContact CG-CD 4.22Å; L855-K909 WeakPolarHBondContact O-CD 3.42Å; L855-K909 PolarHBondContact O-NZ 2.89Å; L855-V910 HydrophobicContact CD2-CG2 3.52Å
856E83.1Confident87.2Confident42 Ų4244.6 Ų44.620%0.19622%0.218CC..SBendtrans-73.63.4173.7-60-166.6175.300113.3L895 T906E856-L895 WeakPolarHBondContact OE1-CD1 3.46Å; E856-T906 HydrophobicContact CG-CG2 4.33Å
857H85.6Confident87.5Confident45 Ų4538 Ų3821%0.20819%0.189CC..  trans-72.6141178.1-157.7-97.1000111.8N854 L855 D859 V862 Y863 K909N854-H857 WeakPolarHBondContact O-CB 2.76Å; L855-H857 PolarHBondContact O-N 3.25Å; H857-D859 WeakPolarHBondContact ND1-CB 3.29Å; H857-D859 PolarHBondContact ND1-N 3.21Å; H857-D859 VanDerWaalsContact ND1-N 3.18Å; H857-V862 HydrophobicContact CB-CB 4.18Å; H857-V862 HydrophobicContact CB-CG1 3.74Å; H857-V862 WeakPolarHBondContact ND1-CB 3.44Å; H857-Y863 WeakPolarHBondContact O-CD1 3.47Å; H857-K909 PolarHBondContact O-NZ 3.26Å
858E80.3Confident87.6Confident123 Ų12341.7 Ų41.758%0.57521%0.207SC*.SBendtrans-73.9-35.7-178.8-55-85.9157.100111.6R902E858-R902 IonicContact OE1-CZ 3.31Å; E858-R902 IonicContact OE1-NE 2.63Å; E858-R902 PolarHBondContact OE1-NE 3.46Å; E858-R902 VanDerWaalsContact OE1-NE 3.11Å; E858-R902 IonicContact OE1-NH2 2.68Å; E858-R902 PolarHBondContact OE1-NH2 2.88Å
859D87.3Confident87.7Confident48 Ų4840.6 Ų40.626%0.25720%0.201SC..SBendtrans-76134179-179-87.1000113.2V819 H857 F861 V862 Y863V819-D859 HydrophobicContact CG1-CB 4.24Å; V819-D859 VanDerWaalsContact CG1-CG 3.45Å; V819-D859 VanDerWaalsContact CG1-OD1 3.28Å; V819-D859 WeakPolarHBondContact CG1-OD1 3.42Å; V819-D859 HydrophobicContact CG2-CB 4.18Å; H857-D859 WeakPolarHBondContact ND1-CB 3.29Å; H857-D859 PolarHBondContact ND1-N 3.21Å; H857-D859 VanDerWaalsContact ND1-N 3.18Å; D859-F861 WeakPolarHBondContact OD1-CA 3.43Å; D859-F861 WeakPolarHBondContact OD1-CB 3.33Å; D859-F861 PolarHBondContact OD1-N 3.46Å; D859-V862 HydrophobicContact CB-CG2 4.45Å; D859-V862 PolarHBondContact O-N 2.8Å; D859-V862 PolarHBondContact OD1-N 3.15Å; D859-Y863 WeakPolarHBondContact O-CD1 3.33Å; D859-Y863 PolarHBondContact O-N 2.97Å; D859-Y863 VanDerWaalsContact O-N 3.1Å
860S86.9Confident87.9Confident44 Ų4437.2 Ų37.231%0.30818%0.18SC..Hα-helixtrans-73.3-29.8-174.8650000115.2V862 L864S860-V862 VanDerWaalsContact C-N 3.27Å; S860-V862 PolarHBondContact O-N 3.01Å; S860-L864 WeakPolarHBondContact O-CB 3.21Å; S860-L864 WeakPolarHBondContact O-CD1 3.28Å; S860-L864 WeakPolarHBondContact O-CG 3.27Å; S860-L864 PolarHBondContact O-N 2.97Å
861F86.8Confident87.9Confident122 Ų12237 Ų3754%0.53518%0.18SC..Hα-helixtrans-67.2-33.3174.9-64.7-81.3000111.4A823 D859 S865A823-F861 HydrophobicContact CB-CB 4.18Å; D859-F861 WeakPolarHBondContact OD1-CA 3.43Å; D859-F861 WeakPolarHBondContact OD1-CB 3.33Å; D859-F861 PolarHBondContact OD1-N 3.46Å; F861-S865 VanDerWaalsContact O-CB 3.28Å; F861-S865 WeakPolarHBondContact O-CB 3.17Å; F861-S865 PolarHBondContact O-N 3.36Å; F861-S865 PolarHBondContact O-OG 2.92Å
862V88.2Confident87.8Confident0 Ų037.7 Ų37.70%018%0.184CC..Hα-helixtrans-72-58.4173.61800000110.7V819 R822 L826 N854 H857 D859 S860 L864 S865 A866V819-V862 HydrophobicContact CG1-CG2 4.19Å; V819-V862 HydrophobicContact CG2-CG2 4.46Å; R822-V862 HydrophobicContact CG-CG1 4.34Å; R822-V862 HydrophobicContact CG-CG2 4.25Å; L826-V862 HydrophobicContact CD1-CG1 3.87Å; N854-V862 HydrophobicContact CB-CG1 4.19Å; N854-V862 WeakPolarHBondContact OD1-CG1 3.37Å; H857-V862 HydrophobicContact CB-CB 4.18Å; H857-V862 HydrophobicContact CB-CG1 3.74Å; H857-V862 WeakPolarHBondContact ND1-CB 3.44Å; D859-V862 HydrophobicContact CB-CG2 4.45Å; D859-V862 PolarHBondContact O-N 2.8Å; D859-V862 PolarHBondContact OD1-N 3.15Å; S860-V862 VanDerWaalsContact C-N 3.27Å; S860-V862 PolarHBondContact O-N 3.01Å; V862-L864 PolarHBondContact O-N 3.45Å; V862-S865 PolarHBondContact O-N 2.84Å; V862-S865 VanDerWaalsContact O-N 3.14Å; V862-A866 PolarHBondContact O-N 3.18Å
863Y89.1Confident87.8Confident59 Ų5936.6 Ų36.623%0.23118%0.178CC..Hα-helixtrans-69.1-31.4-173.876.9-115000113.3H857 D859 A866 I867 K909H857-Y863 WeakPolarHBondContact O-CD1 3.47Å; D859-Y863 WeakPolarHBondContact O-CD1 3.33Å; D859-Y863 PolarHBondContact O-N 2.97Å; D859-Y863 VanDerWaalsContact O-N 3.1Å; Y863-A866 PolarHBondContact O-N 3.1Å; Y863-I867 HydrophobicContact CD2-CD1 4.02Å; Y863-I867 VanDerWaalsContact O-CG1 3.31Å; Y863-I867 WeakPolarHBondContact O-CG1 3.36Å; Y863-I867 PolarHBondContact O-N 3.19Å; Y863-K909 VanDerWaalsContact CD1-NZ 3.34Å; Y863-K909 HydrophobicContact CD2-CD 4.2Å; Y863-K909 HydrophobicContact CD2-CG 4.48Å; Y863-K909 HydrophobicContact CG-CD 4.26Å; Y863-K909 VanDerWaalsContact CG-CE 3.44Å
864L88.3Confident87.9Confident77 Ų7732.1 Ų32.140%0.40316%0.158SC..Hα-helixtrans-68.8-34.5173.2-67.9170.1000111.9S860 V862 A866 I867 Q868S860-L864 WeakPolarHBondContact O-CB 3.21Å; S860-L864 WeakPolarHBondContact O-CD1 3.28Å; S860-L864 WeakPolarHBondContact O-CG 3.27Å; S860-L864 PolarHBondContact O-N 2.97Å; V862-L864 PolarHBondContact O-N 3.45Å; L864-A866 VanDerWaalsContact C-N 3.33Å; L864-I867 HydrophobicContact CD2-CD1 4.38Å; L864-I867 PolarHBondContact O-N 3.32Å; L864-Q868 PolarHBondContact O-N 2.9Å
865S90.1Very high87.7Confident5 Ų535.9 Ų35.94%0.03518%0.178CC..Hα-helixtrans-68.8-34.4173.1-58.60000111.2R827 F861 V862 G869R827-S865 PolarHBondContact NE-OG 3.08Å; R827-S865 VanDerWaalsContact NE-OG 3.17Å; F861-S865 VanDerWaalsContact O-CB 3.28Å; F861-S865 WeakPolarHBondContact O-CB 3.17Å; F861-S865 PolarHBondContact O-N 3.36Å; F861-S865 PolarHBondContact O-OG 2.92Å; V862-S865 PolarHBondContact O-N 2.84Å; V862-S865 VanDerWaalsContact O-N 3.14Å; S865-G869 PolarHBondContact O-N 3.13Å
866A91.5Very high87.4Confident0 Ų036.6 Ų36.60%018%0.183CC..Hα-helixtrans-68.1-43.5172.300000113F851 N854 L855 V862 Y863 L864 Q868 G869 L870F851-A866 HydrophobicContact CD1-CB 4.37Å; N854-A866 HydrophobicContact CB-CB 3.88Å; L855-A866 HydrophobicContact CD1-CB 4.44Å; V862-A866 PolarHBondContact O-N 3.18Å; Y863-A866 PolarHBondContact O-N 3.1Å; L864-A866 VanDerWaalsContact C-N 3.33Å; A866-Q868 VanDerWaalsContact C-N 3.29Å; A866-Q868 PolarHBondContact O-N 3.33Å; A866-G869 PolarHBondContact O-N 3.38Å; A866-G869 VanDerWaalsContact O-N 3.17Å; A866-L870 WeakPolarHBondContact O-CG 3.32Å; A866-L870 PolarHBondContact O-N 3Å
867I90.9Very high87.4Confident4 Ų437.3 Ų37.32%0.02119%0.185CC..Hα-helixtrans-56-45.7173.5-74.2171.2000110.6L855 Y863 L864 L870 A871 K909 E912 V913L855-I867 HydrophobicContact CD1-CD1 4.29Å; L855-I867 HydrophobicContact CD1-CG1 3.48Å; L855-I867 VanDerWaalsContact CD1-CG1 3.48Å; Y863-I867 HydrophobicContact CD2-CD1 4.02Å; Y863-I867 VanDerWaalsContact O-CG1 3.31Å; Y863-I867 WeakPolarHBondContact O-CG1 3.36Å; Y863-I867 PolarHBondContact O-N 3.19Å; L864-I867 HydrophobicContact CD2-CD1 4.38Å; L864-I867 PolarHBondContact O-N 3.32Å; I867-L870 PolarHBondContact O-N 3.08Å; I867-A871 PolarHBondContact O-N 2.62Å; I867-K909 HydrophobicContact CD1-CB 4.3Å; I867-K909 HydrophobicContact CD1-CG 4.39Å; I867-E912 HydrophobicContact CD1-CG 4.24Å; I867-E912 HydrophobicContact CG2-CG 3.88Å; I867-V913 HydrophobicContact CB-CG2 4.08Å; I867-V913 HydrophobicContact CG1-CG2 3.93Å; I867-V913 HydrophobicContact CG2-CG2 3.95Å
868Q90.2Very high87.1Confident79 Ų7936.7 Ų36.737%0.36918%0.184SC..Hα-helixtrans-66.5-38.3178.5-168.458.93400112.3L864 A866 V872L864-Q868 PolarHBondContact O-N 2.9Å; A866-Q868 VanDerWaalsContact C-N 3.29Å; A866-Q868 PolarHBondContact O-N 3.33Å; Q868-V872 WeakPolarHBondContact O-CB 3.42Å; Q868-V872 WeakPolarHBondContact O-CG2 3.27Å; Q868-V872 PolarHBondContact O-N 3.07Å
869G89.2Confident87Confident0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-61-47.5173.100000113.1T830 S865 A866 V872 L873T830-G869 WeakPolarHBondContact OG1-CA 3.45Å; S865-G869 PolarHBondContact O-N 3.13Å; A866-G869 PolarHBondContact O-N 3.38Å; A866-G869 VanDerWaalsContact O-N 3.17Å; G869-V872 PolarHBondContact O-N 3.05Å; G869-L873 WeakPolarHBondContact O-CB 3.31Å; G869-L873 PolarHBondContact O-N 3.38Å
870L90.1Very high86.6Confident0 Ų036.3 Ų36.30%019%0.191CC..Hα-helixtrans-64.5-40.8178.7-68.8168.7000112.6L848 F851 L852 L855 A866 I867 L873 A874 L885 V913L848-L870 HydrophobicContact CD1-CD2 3.74Å; F851-L870 HydrophobicContact CB-CD1 4.39Å; F851-L870 HydrophobicContact CB-CD2 3.54Å; F851-L870 HydrophobicContact CB-CG 3.69Å; F851-L870 HydrophobicContact CG-CD2 4.43Å; F851-L870 HydrophobicContact CG-CG 4.45Å; L852-L870 HydrophobicContact CD2-CD1 4.09Å; L852-L870 HydrophobicContact CD2-CD2 4.26Å; L852-L870 HydrophobicContact CG-CD2 4.3Å; L855-L870 HydrophobicContact CD1-CD1 4.24Å; L855-L870 HydrophobicContact CD2-CD1 4.13Å; A866-L870 WeakPolarHBondContact O-CG 3.32Å; A866-L870 PolarHBondContact O-N 3Å; I867-L870 PolarHBondContact O-N 3.08Å; L870-L873 PolarHBondContact O-N 3.36Å; L870-A874 WeakPolarHBondContact O-CB 3.09Å; L870-A874 PolarHBondContact O-N 3.01Å; L870-L885 HydrophobicContact CD1-CD2 4.47Å; L870-V913 HydrophobicContact CB-CB 4.44Å; L870-V913 HydrophobicContact CB-CG1 3.52Å; L870-V913 HydrophobicContact CB-CG2 3.95Å; L870-V913 HydrophobicContact CD1-CG2 3.91Å
871A89.6Confident86.5Confident6 Ų634.3 Ų34.35%0.0518%0.176CC..Hα-helixtrans-62.5-43.7177.200000111.8I867 A874 D875 R916I867-A871 PolarHBondContact O-N 2.62Å; A871-A874 PolarHBondContact O-N 3.32Å; A871-D875 PolarHBondContact O-N 3.41Å; A871-R916 HydrophobicContact CB-CB 3.61Å
872V88.9Confident86.5Confident14 Ų1428.8 Ų28.89%0.08515%0.153CC..Hα-helixtrans-63.5-39.7173.8158.10000112.3T830 V833 Q834 Q868 G869 S876T830-V872 HydrophobicContact CG2-CB 4.09Å; T830-V872 HydrophobicContact CG2-CG1 4.12Å; T830-V872 HydrophobicContact CG2-CG2 3.9Å; V833-V872 HydrophobicContact CB-CG1 3.96Å; V833-V872 HydrophobicContact CG1-CG1 3.65Å; Q834-V872 HydrophobicContact CG-CB 4.41Å; Q834-V872 HydrophobicContact CG-CG1 3.51Å; Q834-V872 HydrophobicContact CG-CG2 3.96Å; Q868-V872 WeakPolarHBondContact O-CB 3.42Å; Q868-V872 WeakPolarHBondContact O-CG2 3.27Å; Q868-V872 PolarHBondContact O-N 3.07Å; G869-V872 PolarHBondContact O-N 3.05Å; V872-S876 WeakPolarHBondContact O-CB 3.23Å; V872-S876 PolarHBondContact O-N 3.24Å; V872-S876 PolarHBondContact O-OG 3.07Å
873L87.9Confident86.3Confident1 Ų134.8 Ų34.81%0.00518%0.18CC..Hα-helixtrans-67.7-40.9178.4-156.176.7000110.5V833 V847 L848 G869 L870 S876 Y877 I881V833-L873 HydrophobicContact CB-CD1 4.33Å; V833-L873 HydrophobicContact CG1-CD1 3.61Å; V833-L873 HydrophobicContact CG2-CD1 3.7Å; V847-L873 HydrophobicContact CG1-CD1 3.91Å; V847-L873 HydrophobicContact CG1-CD2 4.45Å; L848-L873 HydrophobicContact CB-CD2 3.84Å; L848-L873 HydrophobicContact CD1-CD2 4.03Å; G869-L873 WeakPolarHBondContact O-CB 3.31Å; G869-L873 PolarHBondContact O-N 3.38Å; L870-L873 PolarHBondContact O-N 3.36Å; L873-S876 PolarHBondContact O-N 2.79Å; L873-Y877 PolarHBondContact O-N 3.02Å; L873-I881 HydrophobicContact CB-CD1 4.06Å; L873-I881 HydrophobicContact CD2-CD1 3.75Å; L873-I881 HydrophobicContact CG-CD1 3.49Å; L873-I881 VanDerWaalsContact CG-CD1 3.49Å; L873-I881 WeakPolarHBondContact O-CD1 3.45Å
874A86.9Confident86.1Confident3 Ų335.4 Ų35.43%0.02518%0.182CC..Hα-helixtrans-66.3-38.6176.400000113L870 A871 S876 P878 I881 L885 A917L870-A874 WeakPolarHBondContact O-CB 3.09Å; L870-A874 PolarHBondContact O-N 3.01Å; A871-A874 PolarHBondContact O-N 3.32Å; A874-S876 VanDerWaalsContact C-N 3.32Å; A874-P878 WeakPolarHBondContact O-CA 3.34Å; A874-P878 WeakPolarHBondContact O-CB 3.49Å; A874-P878 WeakPolarHBondContact O-CD 3.47Å; A874-I881 HydrophobicContact CB-CG2 3.88Å; A874-L885 HydrophobicContact CB-CD1 4.32Å; A874-A917 HydrophobicContact CB-CB 4.04Å
875D84.1Confident86.1Confident80 Ų8031.7 Ų31.743%0.42816%0.163SC..Hα-helixtrans-62.8-39.3170.4-178.959.3000111.7A871 A920A871-D875 PolarHBondContact O-N 3.41Å; D875-A920 HydrophobicContact CB-CB 4.11Å
876S81.4Confident85.9Confident17 Ų1732 Ų3212%0.11917%0.165CC..Hα-helixtrans-72.9-35.3-179.3-600000114.1V872 L873 A874V872-S876 WeakPolarHBondContact O-CB 3.23Å; V872-S876 PolarHBondContact O-N 3.24Å; V872-S876 PolarHBondContact O-OG 3.07Å; L873-S876 PolarHBondContact O-N 2.79Å; A874-S876 VanDerWaalsContact C-N 3.32Å
877Y82.2Confident85.6Confident57 Ų5736.4 Ų36.422%0.22419%0.185CC..SBendtrans-14364.8-174.8-50.4-81.6000112.7V841 Q844 L873 G879 I881V841-Y877 HydrophobicContact CG1-CE1 4.46Å; V841-Y877 VanDerWaalsContact CG2-OH 3.28Å; V841-Y877 WeakPolarHBondContact CG2-OH 3.35Å; Q844-Y877 HydrophobicContact CG-CD2 4.15Å; Q844-Y877 HydrophobicContact CG-CE2 4.48Å; Q844-Y877 VanDerWaalsContact NE2-CB 3.27Å; L873-Y877 PolarHBondContact O-N 3.02Å; Y877-G879 PolarHBondContact O-N 2.88Å; Y877-I881 HydrophobicContact CD2-CD1 4.42Å
878P80.2Confident85.2Confident31 Ų3136.5 Ų36.520%0.20119%0.185CC..Hα-helixtrans-57.7-48.7-163.815-29.2000115.3A874 Q880 I881 L882 L928A874-P878 WeakPolarHBondContact O-CA 3.34Å; A874-P878 WeakPolarHBondContact O-CB 3.49Å; A874-P878 WeakPolarHBondContact O-CD 3.47Å; P878-Q880 PolarHBondContact O-N 3.13Å; P878-I881 PolarHBondContact O-N 2.94Å; P878-L882 WeakPolarHBondContact O-CB 3.49Å; P878-L882 PolarHBondContact O-N 3.09Å; P878-L928 HydrophobicContact CB-CD1 3.51Å; P878-L928 HydrophobicContact CB-CD2 4.25Å; P878-L928 HydrophobicContact CG-CD1 3.91Å
879G78.2Confident85.1Confident36 Ų3632.9 Ų32.937%0.37117%0.168SC..Hα-helixtrans-50-67.9-169.500000114.9Y877 I881 E883Y877-G879 PolarHBondContact O-N 2.88Å; G879-I881 VanDerWaalsContact C-N 3.32Å; G879-I881 PolarHBondContact O-N 2.92Å; G879-E883 WeakPolarHBondContact O-CB 3.19Å; G879-E883 VanDerWaalsContact O-CG 3.32Å; G879-E883 WeakPolarHBondContact O-CG 3.32Å; G879-E883 PolarHBondContact O-N 3.05Å; G879-E883 VanDerWaalsContact O-N 3.12Å
880Q78.8Confident84.7Confident128 Ų12836.2 Ų36.260%0.59818%0.184SC*.Hα-helixtrans-67.3-30.5-175.3-63.9-18010.500113.3P878 R884P878-Q880 PolarHBondContact O-N 3.13Å; Q880-R884 WeakPolarHBondContact O-CB 3.36Å; Q880-R884 PolarHBondContact O-N 2.59Å
881I84.1Confident83.9Confident1 Ų146.2 Ų46.21%0.00522%0.222CC..Hα-helixtrans-81.1-42.4-175.7-63176.2000110.7L848 L873 A874 Y877 P878 G879 R884 L885L848-I881 HydrophobicContact CD1-CG2 4.32Å; L848-I881 HydrophobicContact CD2-CG1 4.46Å; L873-I881 HydrophobicContact CB-CD1 4.06Å; L873-I881 HydrophobicContact CD2-CD1 3.75Å; L873-I881 HydrophobicContact CG-CD1 3.49Å; L873-I881 VanDerWaalsContact CG-CD1 3.49Å; L873-I881 WeakPolarHBondContact O-CD1 3.45Å; A874-I881 HydrophobicContact CB-CG2 3.88Å; Y877-I881 HydrophobicContact CD2-CD1 4.42Å; P878-I881 PolarHBondContact O-N 2.94Å; G879-I881 VanDerWaalsContact C-N 3.32Å; G879-I881 PolarHBondContact O-N 2.92Å; I881-R884 PolarHBondContact O-N 3.08Å; I881-L885 HydrophobicContact CG2-CD1 3.76Å; I881-L885 HydrophobicContact CG2-CG 4.2Å; I881-L885 WeakPolarHBondContact O-CB 3.5Å; I881-L885 VanDerWaalsContact O-CG 3.32Å; I881-L885 WeakPolarHBondContact O-CG 3.42Å; I881-L885 PolarHBondContact O-N 3.1Å
882L86.3Confident82.8Confident7 Ų746.1 Ų46.14%0.03722%0.221CC..Hα-helixtrans-65.5-42.2176.5-160.869.9000110.3P878 R884 L885 L886 L914 M921 L928 L932P878-L882 WeakPolarHBondContact O-CB 3.49Å; P878-L882 PolarHBondContact O-N 3.09Å; L882-R884 VanDerWaalsContact C-N 3.28Å; L882-R884 PolarHBondContact O-N 3.01Å; L882-L885 PolarHBondContact O-N 3.38Å; L882-L886 HydrophobicContact CG-CD1 4.09Å; L882-L886 VanDerWaalsContact O-CB 3.28Å; L882-L886 WeakPolarHBondContact O-CB 3.09Å; L882-L886 WeakPolarHBondContact O-CD1 3.19Å; L882-L886 WeakPolarHBondContact O-CG 3.26Å; L882-L886 PolarHBondContact O-N 3.23Å; L882-L914 HydrophobicContact CD1-CD2 3.8Å; L882-M921 HydrophobicContact CD2-SD 4.45Å; L882-L928 HydrophobicContact CD2-CB 4.13Å; L882-L928 HydrophobicContact CD2-CD2 4.46Å; L882-L932 HydrophobicContact CD1-CD1 4.28Å; L882-L932 HydrophobicContact CD1-CD2 3.85Å; L882-L932 HydrophobicContact CD1-CG 4.32Å; L882-L932 HydrophobicContact CD2-CD1 3.86Å; L882-L932 HydrophobicContact CD2-CD2 4.41Å; L882-L932 HydrophobicContact CD2-CG 4Å; L882-L932 HydrophobicContact CG-CD2 4.23Å; L882-L932 HydrophobicContact CG-CG 4.34Å
883E84.9Confident81.5Confident125 Ų12546.4 Ų46.458%0.58422%0.223SC*.Hα-helixtrans-55.3-42.1170.3-78.7176.2-165.800112.5G879 Q887G879-E883 WeakPolarHBondContact O-CB 3.19Å; G879-E883 VanDerWaalsContact O-CG 3.32Å; G879-E883 WeakPolarHBondContact O-CG 3.32Å; G879-E883 PolarHBondContact O-N 3.05Å; G879-E883 VanDerWaalsContact O-N 3.12Å; E883-Q887 VanDerWaalsContact O-CG 3.27Å; E883-Q887 WeakPolarHBondContact O-CG 3.4Å; E883-Q887 PolarHBondContact O-N 2.78Å; E883-Q887 PolarHBondContact O-NE2 3.01Å; E883-Q887 VanDerWaalsContact O-NE2 3.12Å
884R84.6Confident79.9Confident72 Ų7250.3 Ų50.327%0.27225%0.251SS..Hα-helixtrans-70.6-49.6179.4178.562.6-159.4-178.14.7112.5L848 Q880 I881 L882 L886 Q887 D888 S894L848-R884 HydrophobicContact CD2-CG 4.37Å; Q880-R884 WeakPolarHBondContact O-CB 3.36Å; Q880-R884 PolarHBondContact O-N 2.59Å; I881-R884 PolarHBondContact O-N 3.08Å; L882-R884 VanDerWaalsContact C-N 3.28Å; L882-R884 PolarHBondContact O-N 3.01Å; R884-L886 VanDerWaalsContact C-N 3.28Å; R884-L886 PolarHBondContact O-N 3.24Å; R884-Q887 WeakPolarHBondContact O-CB 3.23Å; R884-Q887 PolarHBondContact O-N 2.8Å; R884-Q887 VanDerWaalsContact O-N 3.13Å; R884-D888 IonicContact CZ-OD1 3.6Å; R884-D888 IonicContact CZ-OD2 2.76Å; R884-D888 IonicContact NE-OD1 3.32Å; R884-D888 IonicContact NE-OD2 3.84Å; R884-D888 PolarHBondContact NE-OD2 3.19Å; R884-D888 IonicContact NH2-OD1 2.66Å; R884-D888 PolarHBondContact NH2-OD1 3.03Å; R884-D888 IonicContact NH2-OD2 3.2Å; R884-D888 PolarHBondContact NH2-OD2 3.01Å; R884-D888 PolarHBondContact O-N 3.49Å; R884-S894 PolarHBondContact NH1-OG 3.08Å; R884-S894 VanDerWaalsContact NH1-OG 3.14Å; R884-S894 PolarHBondContact NH2-OG 2.72Å
885L87.3Confident78.5Confident0 Ų053.3 Ų53.30%027%0.266CS..Hα-helixtrans-61.4-36.6178.8-69.6169.6000111.6L852 L870 A874 I881 L882 D888 F889 V910 V913 L914L852-L885 HydrophobicContact CD2-CD2 4.24Å; L870-L885 HydrophobicContact CD1-CD2 4.47Å; A874-L885 HydrophobicContact CB-CD1 4.32Å; I881-L885 HydrophobicContact CG2-CD1 3.76Å; I881-L885 HydrophobicContact CG2-CG 4.2Å; I881-L885 WeakPolarHBondContact O-CB 3.5Å; I881-L885 VanDerWaalsContact O-CG 3.32Å; I881-L885 WeakPolarHBondContact O-CG 3.42Å; I881-L885 PolarHBondContact O-N 3.1Å; L882-L885 PolarHBondContact O-N 3.38Å; L885-D888 PolarHBondContact O-N 3.14Å; L885-F889 WeakPolarHBondContact O-CB 3.38Å; L885-F889 PolarHBondContact O-N 2.74Å; L885-V910 HydrophobicContact CB-CG1 4.3Å; L885-V910 HydrophobicContact CD2-CG1 4.2Å; L885-V910 WeakPolarHBondContact O-CG1 3.13Å; L885-V913 HydrophobicContact CD1-CG1 3.65Å; L885-V913 HydrophobicContact CD2-CG1 4.11Å; L885-L914 HydrophobicContact CB-CD2 3.7Å; L885-L914 HydrophobicContact CB-CG 4.27Å; L885-L914 HydrophobicContact CD1-CD2 4.34Å
886L87.1Confident76.7Confident12 Ų1256.1 Ų56.16%0.06329%0.289CS..Hα-helixtrans-67.8-36.2175.3-70.1170000112.5L882 R884 Q890 L914 P931 L932 V935L882-L886 HydrophobicContact CG-CD1 4.09Å; L882-L886 VanDerWaalsContact O-CB 3.28Å; L882-L886 WeakPolarHBondContact O-CB 3.09Å; L882-L886 WeakPolarHBondContact O-CD1 3.19Å; L882-L886 WeakPolarHBondContact O-CG 3.26Å; L882-L886 PolarHBondContact O-N 3.23Å; R884-L886 VanDerWaalsContact C-N 3.28Å; R884-L886 PolarHBondContact O-N 3.24Å; L886-Q890 WeakPolarHBondContact O-CB 3.37Å; L886-Q890 WeakPolarHBondContact O-CG 3.07Å; L886-Q890 PolarHBondContact O-N 2.99Å; L886-L914 HydrophobicContact CD2-CD1 3.79Å; L886-L914 HydrophobicContact CD2-CD2 3.99Å; L886-L914 HydrophobicContact CG-CD2 4.21Å; L886-P931 HydrophobicContact CD1-CB 4.15Å; L886-L932 HydrophobicContact CD1-CD2 4.14Å; L886-L932 HydrophobicContact CD1-CG 4.37Å; L886-L932 HydrophobicContact CD2-CD2 3.64Å; L886-L932 HydrophobicContact CG-CD2 4.26Å; L886-V935 HydrophobicContact CB-CG2 4.22Å; L886-V935 HydrophobicContact CD1-CG2 4.33Å; L886-V935 HydrophobicContact CD2-CB 3.76Å; L886-V935 HydrophobicContact CD2-CG1 3.67Å; L886-V935 HydrophobicContact CD2-CG2 3.88Å; L886-V935 HydrophobicContact CG-CG2 4.36Å
887Q84.8Confident75.4Confident91 Ų9159.9 Ų59.943%0.42532%0.315SS..Hα-helixtrans-65.1-45.9173.2-72.3167.148.800111.8E883 R884 Q890 R891E883-Q887 VanDerWaalsContact O-CG 3.27Å; E883-Q887 WeakPolarHBondContact O-CG 3.4Å; E883-Q887 PolarHBondContact O-N 2.78Å; E883-Q887 PolarHBondContact O-NE2 3.01Å; E883-Q887 VanDerWaalsContact O-NE2 3.12Å; R884-Q887 WeakPolarHBondContact O-CB 3.23Å; R884-Q887 PolarHBondContact O-N 2.8Å; R884-Q887 VanDerWaalsContact O-N 3.13Å; Q887-Q890 PolarHBondContact O-N 3.45Å; Q887-R891 PolarHBondContact O-N 2.98Å
888D83.7Confident73.9Confident6 Ų659 Ų593%0.03232%0.317CS..Hα-helixtrans-67-34.3178.2-73.7-41.1000112R884 L885 G892 P893 S894R884-D888 IonicContact CZ-OD1 3.6Å; R884-D888 IonicContact CZ-OD2 2.76Å; R884-D888 IonicContact NE-OD1 3.32Å; R884-D888 IonicContact NE-OD2 3.84Å; R884-D888 PolarHBondContact NE-OD2 3.19Å; R884-D888 IonicContact NH2-OD1 2.66Å; R884-D888 PolarHBondContact NH2-OD1 3.03Å; R884-D888 IonicContact NH2-OD2 3.2Å; R884-D888 PolarHBondContact NH2-OD2 3.01Å; R884-D888 PolarHBondContact O-N 3.49Å; L885-D888 PolarHBondContact O-N 3.14Å; D888-G892 CarbonylContact O-C 3.53Å; D888-G892 WeakPolarHBondContact O-CA 3.24Å; D888-G892 PolarHBondContact O-N 3.42Å; D888-P893 WeakPolarHBondContact OD1-CA 3.39Å; D888-S894 PolarHBondContact OD1-N 3.49Å; D888-S894 PolarHBondContact OD1-OG 3.15Å
889F86.8Confident72.9Confident3 Ų364.1 Ų64.11%0.01334%0.336CS..Hα-helixtrans-65.9-39.1171.8-173.6-102.4000112.8L885 R907 V910 L914 V935 F936 V947L885-F889 WeakPolarHBondContact O-CB 3.38Å; L885-F889 PolarHBondContact O-N 2.74Å; F889-R907 VanDerWaalsContact CD2-O 3.31Å; F889-R907 WeakPolarHBondContact CD2-O 3.4Å; F889-R907 PolarHBondContact O-NE 3.37Å; F889-R907 PolarHBondContact O-NH2 3.23Å; F889-R907 VanDerWaalsContact O-NH2 3.11Å; F889-V910 HydrophobicContact CB-CG1 3.92Å; F889-V910 HydrophobicContact CD2-CG1 4.45Å; F889-L914 HydrophobicContact CB-CD1 3.76Å; F889-L914 HydrophobicContact CD1-CD1 4.43Å; F889-L914 HydrophobicContact CD2-CD1 4.16Å; F889-L914 HydrophobicContact CG-CD1 3.87Å; F889-V935 HydrophobicContact CD1-CG1 3.78Å; F889-V935 HydrophobicContact CE1-CG1 4.34Å; F889-F936 HydrophobicContact CE1-CD1 4.39Å; F889-V947 HydrophobicContact CZ-CG1 4.39Å
890Q80.3Confident71.8Confident70 Ų7071 Ų7133%0.32736%0.359SS..Hα-helixtrans-76.3-38.8-179.9-77-165.3-32.300114L886 Q887 V935L886-Q890 WeakPolarHBondContact O-CB 3.37Å; L886-Q890 WeakPolarHBondContact O-CG 3.07Å; L886-Q890 PolarHBondContact O-N 2.99Å; Q887-Q890 PolarHBondContact O-N 3.45Å; Q890-V935 HydrophobicContact CG-CG1 3.72Å; Q890-V935 HydrophobicContact CG-CG2 4.46Å
891R73.8Confident70.7Confident211 Ų21172.2 Ų72.280%0.79637%0.365SS*.Hα-helixtrans-114.3-4.1-167.5-61.4-176.91801770.6114.2Q887Q887-R891 PolarHBondContact O-N 2.98Å
892G66.9Low69.6Low3 Ų377.4 Ų77.43%0.03138%0.384CS..  trans78.6166.4-163.900000111.6D888D888-G892 CarbonylContact O-C 3.53Å; D888-G892 WeakPolarHBondContact O-CA 3.24Å; D888-G892 PolarHBondContact O-N 3.42Å
893P61.4Low68.9Low21 Ų2178.3 Ų78.314%0.13639%0.391CS..  trans-58.8139178.725.9-35000111.1D888 L895 T906D888-P893 WeakPolarHBondContact OD1-CA 3.39Å; P893-L895 PolarHBondContact O-N 3.42Å; P893-T906 HydrophobicContact CB-CG2 4.28Å; P893-T906 HydrophobicContact CG-CG2 4Å
894S53.3Low68.7Low82 Ų8274.8 Ų74.857%0.57338%0.376SS*.  trans-72.614.9178.5-43.30000114.8R884 D888R884-S894 PolarHBondContact NH1-OG 3.08Å; R884-S894 VanDerWaalsContact NH1-OG 3.14Å; R884-S894 PolarHBondContact NH2-OG 2.72Å; D888-S894 PolarHBondContact OD1-N 3.49Å; D888-S894 PolarHBondContact OD1-OG 3.15Å
895L58.4Low68.6Low66 Ų6674.9 Ų74.935%0.34638%0.379SS..  trans-89.5129.7-171-75.3164.6000111.3E856 P893 S897E856-L895 WeakPolarHBondContact OE1-CD1 3.46Å; P893-L895 PolarHBondContact O-N 3.42Å; L895-S897 PolarHBondContact O-N 3.15Å
896P46.3Very low68.3Low140 Ų14075.2 Ų75.291%0.90938%0.381SS*.THydrogen-bonded Turntrans-68.98.6-169-23.635000118.4
897S53.6Low68.3Low96 Ų9676.2 Ų76.267%0.67138%0.384SS*.THydrogen-bonded Turntrans-122-8.6-167.363.40000116L895 K899L895-S897 PolarHBondContact O-N 3.15Å; S897-K899 PolarHBondContact O-N 2.98Å
898S51.8Low68.5Low39 Ų3974.4 Ų74.427%0.27338%0.377SS..  trans-72.7128.3-172.365.60000113
899K58.2Low68.8Low137 Ų13774.8 Ų74.860%0.59638%0.378SS*.  trans-63.3154.2161-67.1-177.8-179.7179.30110.2S897 E901 R902 S903S897-K899 PolarHBondContact O-N 2.98Å; K899-E901 PolarHBondContact O-N 2.94Å; K899-R902 PolarHBondContact O-N 3.08Å; K899-R902 VanDerWaalsContact O-N 3.09Å; K899-S903 PolarHBondContact O-N 2.9Å
900Q55.9Low68.9Low182 Ų18274.7 Ų74.785%0.8538%0.378SS*.Hα-helixtrans-57.9-34-178.4-168.3167.7-11.100113.4S903 L904Q900-S903 WeakPolarHBondContact O-CB 3.44Å; Q900-S903 PolarHBondContact O-N 3.36Å; Q900-L904 PolarHBondContact O-N 3.38Å
901E55.6Low69.3Low153 Ų15371.4 Ų71.472%0.71536%0.363SS*.Hα-helixtrans-66.4-47.3174.5-62.7157.9146.500112.3K899 S903 L904 E905K899-E901 PolarHBondContact O-N 2.94Å; E901-S903 PolarHBondContact O-N 3.01Å; E901-L904 WeakPolarHBondContact O-CB 3.37Å; E901-L904 PolarHBondContact O-N 3.26Å; E901-L904 VanDerWaalsContact O-N 3.11Å; E901-E905 PolarHBondContact O-N 3.46Å; E901-E905 VanDerWaalsContact O-N 3.16Å
902R60.1Low70.1Confident110 Ų11064.2 Ų64.242%0.41534%0.338SS..Hα-helixtrans-64.1-27.9175.6-76.3-171.9176.7160.6-1.2112.6E858 K899 T906E858-R902 IonicContact OE1-CZ 3.31Å; E858-R902 IonicContact OE1-NE 2.63Å; E858-R902 PolarHBondContact OE1-NE 3.46Å; E858-R902 VanDerWaalsContact OE1-NE 3.11Å; E858-R902 IonicContact OE1-NH2 2.68Å; E858-R902 PolarHBondContact OE1-NH2 2.88Å; K899-R902 PolarHBondContact O-N 3.08Å; K899-R902 VanDerWaalsContact O-N 3.09Å; R902-T906 VanDerWaalsContact O-CB 3.28Å; R902-T906 WeakPolarHBondContact O-CB 3.29Å; R902-T906 PolarHBondContact O-N 3.04Å; R902-T906 PolarHBondContact O-OG1 3Å
903S71.8Confident71.3Confident25 Ų2564.1 Ų64.118%0.17534%0.337CS..Hα-helixtrans-64.8-42.9172.1-1730000111.6K899 Q900 E901 T906 R907K899-S903 PolarHBondContact O-N 2.9Å; Q900-S903 WeakPolarHBondContact O-CB 3.44Å; Q900-S903 PolarHBondContact O-N 3.36Å; E901-S903 PolarHBondContact O-N 3.01Å; S903-T906 PolarHBondContact O-N 3.06Å; S903-R907 WeakPolarHBondContact O-CB 3.34Å; S903-R907 VanDerWaalsContact O-CG 3.23Å; S903-R907 WeakPolarHBondContact O-CG 3.46Å; S903-R907 PolarHBondContact O-N 3.33Å
904L81.2Confident72.6Confident52 Ų5263.1 Ų63.127%0.27233%0.33SS..Hα-helixtrans-60.8-51.5174.2173.160.7000111.7Q900 E901 T906 R907 L908 D944 V947Q900-L904 PolarHBondContact O-N 3.38Å; E901-L904 WeakPolarHBondContact O-CB 3.37Å; E901-L904 PolarHBondContact O-N 3.26Å; E901-L904 VanDerWaalsContact O-N 3.11Å; L904-T906 VanDerWaalsContact C-N 3.3Å; L904-T906 PolarHBondContact O-N 3.35Å; L904-R907 WeakPolarHBondContact O-CB 3.3Å; L904-R907 PolarHBondContact O-N 3.43Å; L904-R907 VanDerWaalsContact O-N 3.13Å; L904-L908 HydrophobicContact CD1-CD1 4.29Å; L904-L908 HydrophobicContact CD1-CG 4.31Å; L904-L908 HydrophobicContact CG-CD1 4.41Å; L904-L908 WeakPolarHBondContact O-CG 3.22Å; L904-L908 PolarHBondContact O-N 3.42Å; L904-D944 HydrophobicContact CD1-CB 4.14Å; L904-D944 WeakPolarHBondContact CD2-OD2 3.34Å; L904-V947 HydrophobicContact CD1-CG2 3.43Å; L904-V947 VanDerWaalsContact CD1-CG2 3.43Å
905E82.6Confident74.3Confident74 Ų7460 Ų6035%0.34631%0.307SS..Hα-helixtrans-57.7-44179.1-167.9-160.6142.200111.7E901 R907 L908 K909E901-E905 PolarHBondContact O-N 3.46Å; E901-E905 VanDerWaalsContact O-N 3.16Å; E905-R907 PolarHBondContact O-N 2.8Å; E905-L908 PolarHBondContact O-N 3.26Å; E905-K909 WeakPolarHBondContact O-CG 3.41Å; E905-K909 PolarHBondContact O-N 3Å; E905-K909 WeakPolarHBondContact OE1-CE 3.26Å; E905-K909 IonicContact OE1-NZ 3.7Å; E905-K909 PolarHBondContact OE1-NZ 2.91Å
906T81.9Confident75.7Confident7 Ų760.2 Ų60.24%0.04330%0.303CS..Hα-helixtrans-65-39.4177.2-54.80000111.7L855 E856 P893 R902 S903 L904 L908 K909 V910L855-T906 HydrophobicContact CD2-CG2 4.31Å; E856-T906 HydrophobicContact CG-CG2 4.33Å; P893-T906 HydrophobicContact CB-CG2 4.28Å; P893-T906 HydrophobicContact CG-CG2 4Å; R902-T906 VanDerWaalsContact O-CB 3.28Å; R902-T906 WeakPolarHBondContact O-CB 3.29Å; R902-T906 PolarHBondContact O-N 3.04Å; R902-T906 PolarHBondContact O-OG1 3Å; S903-T906 PolarHBondContact O-N 3.06Å; L904-T906 VanDerWaalsContact C-N 3.3Å; L904-T906 PolarHBondContact O-N 3.35Å; T906-L908 VanDerWaalsContact C-N 3.34Å; T906-L908 PolarHBondContact O-N 3.4Å; T906-K909 PolarHBondContact O-N 3.41Å; T906-V910 WeakPolarHBondContact O-CG2 3.18Å; T906-V910 PolarHBondContact O-N 3.07Å
907R86.5Confident77.7Confident32 Ų3253.7 Ų53.712%0.12126%0.261CS..Hα-helixtrans-61.5-39.7173.7-72.517476.4-151.83.2111.9F889 S903 L904 E905 V910 G911 D942F889-R907 VanDerWaalsContact CD2-O 3.31Å; F889-R907 WeakPolarHBondContact CD2-O 3.4Å; F889-R907 PolarHBondContact O-NE 3.37Å; F889-R907 PolarHBondContact O-NH2 3.23Å; F889-R907 VanDerWaalsContact O-NH2 3.11Å; S903-R907 WeakPolarHBondContact O-CB 3.34Å; S903-R907 VanDerWaalsContact O-CG 3.23Å; S903-R907 WeakPolarHBondContact O-CG 3.46Å; S903-R907 PolarHBondContact O-N 3.33Å; L904-R907 WeakPolarHBondContact O-CB 3.3Å; L904-R907 PolarHBondContact O-N 3.43Å; L904-R907 VanDerWaalsContact O-N 3.13Å; E905-R907 PolarHBondContact O-N 2.8Å; R907-V910 PolarHBondContact O-N 3.42Å; R907-G911 PolarHBondContact O-N 3.43Å; R907-D942 IonicContact CZ-OD2 3.91Å; R907-D942 IonicContact NH1-OD1 2.82Å; R907-D942 IonicContact NH1-OD2 2.68Å; R907-D942 PolarHBondContact NH1-OD2 2.88Å; R907-D942 IonicContact NH2-OD2 3.26Å; R907-D942 PolarHBondContact NH2-OD2 3.08Å
908L88.4Confident79.2Confident53 Ų5349.1 Ų49.128%0.27723%0.229SC..Hα-helixtrans-68.5-41.4175.6-62.3174.5000112L904 E905 T906 V910 G911 E912 V947L904-L908 HydrophobicContact CD1-CD1 4.29Å; L904-L908 HydrophobicContact CD1-CG 4.31Å; L904-L908 HydrophobicContact CG-CD1 4.41Å; L904-L908 WeakPolarHBondContact O-CG 3.22Å; L904-L908 PolarHBondContact O-N 3.42Å; E905-L908 PolarHBondContact O-N 3.26Å; T906-L908 VanDerWaalsContact C-N 3.34Å; T906-L908 PolarHBondContact O-N 3.4Å; L908-V910 PolarHBondContact O-N 2.83Å; L908-G911 WeakPolarHBondContact O-CA 3.44Å; L908-G911 PolarHBondContact O-N 2.98Å; L908-G911 VanDerWaalsContact O-N 3.08Å; L908-E912 PolarHBondContact O-N 3.12Å; L908-V947 HydrophobicContact CD2-CG2 4.14Å
909K90.1Very high80.7Confident14 Ų1453.4 Ų53.46%0.06124%0.24CC..Hα-helixtrans-60.3-40.8172.3-72.2174.1171.2172.70112.1L855 H857 Y863 I867 E905 T906 E912 V913L855-K909 HydrophobicContact CD1-CB 3.93Å; L855-K909 HydrophobicContact CD1-CD 4.45Å; L855-K909 HydrophobicContact CD2-CB 4.11Å; L855-K909 HydrophobicContact CG-CB 3.85Å; L855-K909 HydrophobicContact CG-CD 4.22Å; L855-K909 WeakPolarHBondContact O-CD 3.42Å; L855-K909 PolarHBondContact O-NZ 2.89Å; H857-K909 PolarHBondContact O-NZ 3.26Å; Y863-K909 VanDerWaalsContact CD1-NZ 3.34Å; Y863-K909 HydrophobicContact CD2-CD 4.2Å; Y863-K909 HydrophobicContact CD2-CG 4.48Å; Y863-K909 HydrophobicContact CG-CD 4.26Å; Y863-K909 VanDerWaalsContact CG-CE 3.44Å; I867-K909 HydrophobicContact CD1-CB 4.3Å; I867-K909 HydrophobicContact CD1-CG 4.39Å; E905-K909 WeakPolarHBondContact O-CG 3.41Å; E905-K909 PolarHBondContact O-N 3Å; E905-K909 WeakPolarHBondContact OE1-CE 3.26Å; E905-K909 IonicContact OE1-NZ 3.7Å; E905-K909 PolarHBondContact OE1-NZ 2.91Å; T906-K909 PolarHBondContact O-N 3.41Å; K909-E912 PolarHBondContact O-N 3.29Å; K909-V913 WeakPolarHBondContact O-CG2 3.46Å; K909-V913 PolarHBondContact O-N 3.4Å
910V89.6Confident81.7Confident2 Ų249 Ų491%0.01223%0.229CC..Hα-helixtrans-67.5-34.6171.9174.80000111.5L855 L885 F889 T906 R907 L908 E912 V913 L914L855-V910 HydrophobicContact CD2-CG2 3.52Å; L885-V910 HydrophobicContact CB-CG1 4.3Å; L885-V910 HydrophobicContact CD2-CG1 4.2Å; L885-V910 WeakPolarHBondContact O-CG1 3.13Å; F889-V910 HydrophobicContact CB-CG1 3.92Å; F889-V910 HydrophobicContact CD2-CG1 4.45Å; T906-V910 WeakPolarHBondContact O-CG2 3.18Å; T906-V910 PolarHBondContact O-N 3.07Å; R907-V910 PolarHBondContact O-N 3.42Å; L908-V910 PolarHBondContact O-N 2.83Å; V910-E912 PolarHBondContact O-N 2.87Å; V910-V913 WeakPolarHBondContact O-CB 3.39Å; V910-V913 PolarHBondContact O-N 2.96Å; V910-L914 HydrophobicContact CG1-CD1 4.13Å; V910-L914 HydrophobicContact CG1-CG 4.35Å; V910-L914 WeakPolarHBondContact O-CG 3.49Å; V910-L914 PolarHBondContact O-N 3.42Å
911G88.9Confident82.6Confident0 Ų041 Ų410%019%0.192CC..Hα-helixtrans-57-46.9172.300000112.4R907 L908 V913 L914 M915 N954R907-G911 PolarHBondContact O-N 3.43Å; L908-G911 WeakPolarHBondContact O-CA 3.44Å; L908-G911 PolarHBondContact O-N 2.98Å; L908-G911 VanDerWaalsContact O-N 3.08Å; G911-V913 PolarHBondContact O-N 2.66Å; G911-L914 PolarHBondContact O-N 3.01Å; G911-M915 PolarHBondContact O-N 3.17Å; G911-N954 PolarHBondContact O-ND2 3.38Å
912E89.4Confident83.4Confident61 Ų6135.6 Ų35.629%0.28518%0.177SC..Hα-helixtrans-62.4-39.1174.4174.464.1-172.600112.3I867 L908 K909 V910 M915 R916I867-E912 HydrophobicContact CD1-CG 4.24Å; I867-E912 HydrophobicContact CG2-CG 3.88Å; L908-E912 PolarHBondContact O-N 3.12Å; K909-E912 PolarHBondContact O-N 3.29Å; V910-E912 PolarHBondContact O-N 2.87Å; E912-M915 PolarHBondContact O-N 2.82Å; E912-M915 WeakPolarHBondContact OE2-CE 3.39Å; E912-R916 WeakPolarHBondContact O-CG 3.35Å; E912-R916 PolarHBondContact O-N 2.95Å; E912-R916 IonicContact OE1-CZ 3.03Å; E912-R916 IonicContact OE1-NE 2.83Å; E912-R916 PolarHBondContact OE1-NE 3.32Å; E912-R916 IonicContact OE1-NH2 3.9Å; E912-R916 PolarHBondContact OE1-NH2 3.14Å
913V91.5Very high83.9Confident0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-61-45.9172.4174.90000111.1I867 L870 L885 K909 V910 G911 M915 R916 A917I867-V913 HydrophobicContact CB-CG2 4.08Å; I867-V913 HydrophobicContact CG1-CG2 3.93Å; I867-V913 HydrophobicContact CG2-CG2 3.95Å; L870-V913 HydrophobicContact CB-CB 4.44Å; L870-V913 HydrophobicContact CB-CG1 3.52Å; L870-V913 HydrophobicContact CB-CG2 3.95Å; L870-V913 HydrophobicContact CD1-CG2 3.91Å; L885-V913 HydrophobicContact CD1-CG1 3.65Å; L885-V913 HydrophobicContact CD2-CG1 4.11Å; K909-V913 WeakPolarHBondContact O-CG2 3.46Å; K909-V913 PolarHBondContact O-N 3.4Å; V910-V913 WeakPolarHBondContact O-CB 3.39Å; V910-V913 PolarHBondContact O-N 2.96Å; G911-V913 PolarHBondContact O-N 2.66Å; V913-M915 VanDerWaalsContact C-N 3.3Å; V913-M915 PolarHBondContact O-N 3.24Å; V913-R916 PolarHBondContact O-N 2.71Å; V913-A917 WeakPolarHBondContact O-CB 3.35Å; V913-A917 PolarHBondContact O-N 2.92Å
914L89.6Confident84Confident0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-65.5-32.6179.9-72.3172.3000112.3L882 L885 L886 F889 V910 G911 S918 L932 F936L882-L914 HydrophobicContact CD1-CD2 3.8Å; L885-L914 HydrophobicContact CB-CD2 3.7Å; L885-L914 HydrophobicContact CB-CG 4.27Å; L885-L914 HydrophobicContact CD1-CD2 4.34Å; L886-L914 HydrophobicContact CD2-CD1 3.79Å; L886-L914 HydrophobicContact CD2-CD2 3.99Å; L886-L914 HydrophobicContact CG-CD2 4.21Å; F889-L914 HydrophobicContact CB-CD1 3.76Å; F889-L914 HydrophobicContact CD1-CD1 4.43Å; F889-L914 HydrophobicContact CD2-CD1 4.16Å; F889-L914 HydrophobicContact CG-CD1 3.87Å; V910-L914 HydrophobicContact CG1-CD1 4.13Å; V910-L914 HydrophobicContact CG1-CG 4.35Å; V910-L914 WeakPolarHBondContact O-CG 3.49Å; V910-L914 PolarHBondContact O-N 3.42Å; G911-L914 PolarHBondContact O-N 3.01Å; L914-S918 PolarHBondContact O-N 3.2Å; L914-S918 PolarHBondContact O-OG 2.82Å; L914-L932 HydrophobicContact CD2-CD2 4.06Å; L914-F936 HydrophobicContact CB-CE1 4.23Å; L914-F936 HydrophobicContact CB-CZ 4.1Å; L914-F936 HydrophobicContact CD1-CE1 4.15Å
915M88.6Confident83.7Confident17 Ų1739.8 Ų39.88%0.08420%0.199CC..Hα-helixtrans-67.8-46.6171.6-172.3-80.9-66.600111.8G911 E912 V913 A917 S918 R919 N954 E957G911-M915 PolarHBondContact O-N 3.17Å; E912-M915 PolarHBondContact O-N 2.82Å; E912-M915 WeakPolarHBondContact OE2-CE 3.39Å; V913-M915 VanDerWaalsContact C-N 3.3Å; V913-M915 PolarHBondContact O-N 3.24Å; M915-A917 VanDerWaalsContact C-N 3.29Å; M915-A917 PolarHBondContact O-N 2.81Å; M915-S918 PolarHBondContact O-N 2.62Å; M915-S918 PolarHBondContact O-OG 3.25Å; M915-R919 VanDerWaalsContact O-CB 3.3Å; M915-R919 WeakPolarHBondContact O-CB 3.49Å; M915-R919 PolarHBondContact O-N 2.84Å; M915-R919 PolarHBondContact SD-NH2 3.33Å; M915-N954 WeakPolarHBondContact CB-OD1 3.42Å; M915-E957 HydrophobicContact CG-CB 4.36Å; M915-E957 HydrophobicContact CG-CG 4.32Å; M915-E957 HydrophobicContact SD-CG 4.37Å
916R88.9Confident83.3Confident70 Ų7038.7 Ų38.726%0.26420%0.198SC..Hα-helixtrans-64.8-34.2175.2-68.7-176.2-168.5-158.75.3112.5A871 E912 V913 R919 A920A871-R916 HydrophobicContact CB-CB 3.61Å; E912-R916 WeakPolarHBondContact O-CG 3.35Å; E912-R916 PolarHBondContact O-N 2.95Å; E912-R916 IonicContact OE1-CZ 3.03Å; E912-R916 IonicContact OE1-NE 2.83Å; E912-R916 PolarHBondContact OE1-NE 3.32Å; E912-R916 IonicContact OE1-NH2 3.9Å; E912-R916 PolarHBondContact OE1-NH2 3.14Å; V913-R916 PolarHBondContact O-N 2.71Å; R916-R919 PolarHBondContact O-N 3.2Å; R916-A920 PolarHBondContact O-N 2.91Å
917A86.9Confident82.9Confident3 Ų345.9 Ų45.93%0.02523%0.231CC..Hα-helixtrans-65.8-49.5173.600000111.2A874 V913 M915 R919 A920 M921A874-A917 HydrophobicContact CB-CB 4.04Å; V913-A917 WeakPolarHBondContact O-CB 3.35Å; V913-A917 PolarHBondContact O-N 2.92Å; M915-A917 VanDerWaalsContact C-N 3.29Å; M915-A917 PolarHBondContact O-N 2.81Å; A917-R919 PolarHBondContact O-N 2.95Å; A917-A920 WeakPolarHBondContact O-CA 3.37Å; A917-A920 WeakPolarHBondContact O-CB 3.45Å; A917-A920 PolarHBondContact O-N 2.9Å; A917-M921 WeakPolarHBondContact O-CG 3.17Å; A917-M921 PolarHBondContact O-N 3.48Å
918S84.9Confident82.2Confident0 Ų046.1 Ų46.10%024%0.235CC..Hα-helixtrans-63.4-31.6176.465.70000112.8L914 M915 A920 R961L914-S918 PolarHBondContact O-N 3.2Å; L914-S918 PolarHBondContact O-OG 2.82Å; M915-S918 PolarHBondContact O-N 2.62Å; M915-S918 PolarHBondContact O-OG 3.25Å; S918-A920 VanDerWaalsContact C-N 3.31Å; S918-A920 PolarHBondContact O-N 3.49Å; S918-R961 VanDerWaalsContact O-CD 3.26Å; S918-R961 WeakPolarHBondContact O-CD 3.37Å
919R83.8Confident81.7Confident130 Ų13043.6 Ų43.649%0.49122%0.221SC..Hα-helixtrans-64-30.9170-175.2167.2-69.3165.11.1113.7M915 R916 A917 E957 R961M915-R919 VanDerWaalsContact O-CB 3.3Å; M915-R919 WeakPolarHBondContact O-CB 3.49Å; M915-R919 PolarHBondContact O-N 2.84Å; M915-R919 PolarHBondContact SD-NH2 3.33Å; R916-R919 PolarHBondContact O-N 3.2Å; A917-R919 PolarHBondContact O-N 2.95Å; R919-E957 HydrophobicContact CB-CG 4.32Å; R919-E957 WeakPolarHBondContact CB-OE1 3.39Å; R919-E957 WeakPolarHBondContact CG-OE1 3.43Å; R919-E957 IonicContact CZ-OE2 2.89Å; R919-E957 IonicContact NE-OE1 3.84Å; R919-E957 PolarHBondContact NE-OE1 3.12Å; R919-E957 IonicContact NE-OE2 2.72Å; R919-E957 PolarHBondContact NE-OE2 2.87Å; R919-E957 IonicContact NH2-OE2 3.21Å; R919-E957 PolarHBondContact NH2-OE2 2.86Å; R919-R961 PolarHBondContact O-NH1 3.2Å; R919-R961 PolarHBondContact O-NH2 3.16Å
920A79.7Confident81.3Confident45 Ų4549.8 Ų49.837%0.37225%0.245SC..Hα-helixtrans-84.6-37.2178.500000114D875 R916 A917 S918 G922D875-A920 HydrophobicContact CB-CB 4.11Å; R916-A920 PolarHBondContact O-N 2.91Å; A917-A920 WeakPolarHBondContact O-CA 3.37Å; A917-A920 WeakPolarHBondContact O-CB 3.45Å; A917-A920 PolarHBondContact O-N 2.9Å; S918-A920 VanDerWaalsContact C-N 3.31Å; S918-A920 PolarHBondContact O-N 3.49Å; A920-G922 PolarHBondContact O-N 2.73Å
921M74.8Confident81Confident14 Ų1452.9 Ų52.97%0.06927%0.265CS..  trans-51.2-22.6-167.7-74-164.2-59.900117.3L882 A917 E923 L924 A925 L928 L932 L958L882-M921 HydrophobicContact CD2-SD 4.45Å; A917-M921 WeakPolarHBondContact O-CG 3.17Å; A917-M921 PolarHBondContact O-N 3.48Å; M921-E923 PolarHBondContact O-N 2.67Å; M921-L924 VanDerWaalsContact O-CB 3.31Å; M921-L924 WeakPolarHBondContact O-CB 3.14Å; M921-L924 PolarHBondContact O-N 3.24Å; M921-A925 HydrophobicContact CB-CB 4.41Å; M921-A925 HydrophobicContact CE-CB 4.23Å; M921-L928 HydrophobicContact CE-CB 4.41Å; M921-L928 HydrophobicContact CG-CD1 4.34Å; M921-L928 HydrophobicContact SD-CB 3.48Å; M921-L928 WeakPolarHBondContact SD-CB 3.29Å; M921-L928 HydrophobicContact SD-CD1 3.64Å; M921-L928 HydrophobicContact SD-CG 4.22Å; M921-L932 HydrophobicContact CE-CD1 3.32Å; M921-L932 HydrophobicContact SD-CD1 3.97Å; M921-L958 HydrophobicContact CE-CD1 3.92Å
922G72.6Confident80.9Confident39 Ų3952.9 Ų52.940%0.40227%0.265SS..G310 helixtrans50.2-127.6177.100000113.4A920 L924 A925A920-G922 PolarHBondContact O-N 2.73Å; G922-L924 PolarHBondContact O-N 3.47Å; G922-L924 VanDerWaalsContact O-N 3.13Å; G922-A925 WeakPolarHBondContact O-CB 3.28Å; G922-A925 PolarHBondContact O-N 3.11Å; G922-A925 VanDerWaalsContact O-N 3.15Å
923E69.6Low80.9Confident188 Ų18850.2 Ų50.288%0.87925%0.252SS*.G310 helixtrans-63.4-13.3179.5-59.9-175.1164.200114.5M921 A925 P926M921-E923 PolarHBondContact O-N 2.67Å; E923-A925 VanDerWaalsContact C-N 3.33Å; E923-P926 WeakPolarHBondContact O-CD 3.34Å
924L74Confident80.6Confident86 Ų8652.7 Ų52.745%0.4527%0.269SS..G310 helixtrans-81.9-11.6176.4-55.6176.5000113.1M921 G922 H927 L928M921-L924 VanDerWaalsContact O-CB 3.31Å; M921-L924 WeakPolarHBondContact O-CB 3.14Å; M921-L924 PolarHBondContact O-N 3.24Å; G922-L924 PolarHBondContact O-N 3.47Å; G922-L924 VanDerWaalsContact O-N 3.13Å; L924-H927 PolarHBondContact O-N 2.94Å; L924-L928 HydrophobicContact CB-CD1 3.88Å; L924-L928 PolarHBondContact O-N 2.71Å; L924-L928 VanDerWaalsContact O-N 3.09Å
925A75.6Confident80.5Confident0 Ų053.2 Ų53.20%027%0.273CS..Hα-helixtrans-55.5-39.5-17700000114.5M921 G922 E923 H927 G929 R961 L962M921-A925 HydrophobicContact CB-CB 4.41Å; M921-A925 HydrophobicContact CE-CB 4.23Å; G922-A925 WeakPolarHBondContact O-CB 3.28Å; G922-A925 PolarHBondContact O-N 3.11Å; G922-A925 VanDerWaalsContact O-N 3.15Å; E923-A925 VanDerWaalsContact C-N 3.33Å; A925-H927 VanDerWaalsContact C-N 3.26Å; A925-H927 PolarHBondContact O-N 3.3Å; A925-G929 VanDerWaalsContact O-CA 3.23Å; A925-G929 WeakPolarHBondContact O-CA 3.37Å; A925-G929 PolarHBondContact O-N 2.9Å; A925-R961 HydrophobicContact CB-CB 4.2Å; A925-L962 WeakPolarHBondContact O-CD2 3.5Å
926P73.1Confident80.6Confident51 Ų5152.4 Ų52.433%0.33127%0.269SS..Hα-helixtrans-62.4-28175.4-26.737.8000114.7E923E923-P926 WeakPolarHBondContact O-CD 3.34Å
927H73.8Confident80.6Confident159 Ų15950.3 Ų50.374%0.73626%0.262SS*.Hα-helixtrans-87.4-40.7-179.3-68.5-73.1000112.5L924 A925L924-H927 PolarHBondContact O-N 2.94Å; A925-H927 VanDerWaalsContact C-N 3.26Å; A925-H927 PolarHBondContact O-N 3.3Å
928L72.9Confident80.7Confident36 Ų3655.3 Ų55.319%0.18829%0.286CS..Hα-helixtrans-93.6-15.1-176-64.9169.1000113.5P878 L882 M921 L924 R930 P931P878-L928 HydrophobicContact CB-CD1 3.51Å; P878-L928 HydrophobicContact CB-CD2 4.25Å; P878-L928 HydrophobicContact CG-CD1 3.91Å; L882-L928 HydrophobicContact CD2-CB 4.13Å; L882-L928 HydrophobicContact CD2-CD2 4.46Å; M921-L928 HydrophobicContact CE-CB 4.41Å; M921-L928 HydrophobicContact CG-CD1 4.34Å; M921-L928 HydrophobicContact SD-CB 3.48Å; M921-L928 WeakPolarHBondContact SD-CB 3.29Å; M921-L928 HydrophobicContact SD-CD1 3.64Å; M921-L928 HydrophobicContact SD-CG 4.22Å; L924-L928 HydrophobicContact CB-CD1 3.88Å; L924-L928 PolarHBondContact O-N 2.71Å; L924-L928 VanDerWaalsContact O-N 3.09Å; L928-R930 PolarHBondContact O-N 3.45Å; L928-P931 WeakPolarHBondContact O-CD 3.38Å
929G77.3Confident80.8Confident0 Ų055.6 Ų55.60%029%0.289CS..Hα-helixtrans-73.7-24.4-17200000115.5A925 L932 L933A925-G929 VanDerWaalsContact O-CA 3.23Å; A925-G929 WeakPolarHBondContact O-CA 3.37Å; A925-G929 PolarHBondContact O-N 2.9Å; G929-L932 PolarHBondContact O-N 3.35Å; G929-L933 WeakPolarHBondContact O-CB 3.38Å; G929-L933 PolarHBondContact O-N 3.02Å
930R82.2Confident81.1Confident145 Ų14549.7 Ų49.755%0.54727%0.267SS..Hα-helixtrans-64.2-48.8-179.5-75.3-175.6174.6-139.3-4.2113.2L928 L932 L933 S934 L969L928-R930 PolarHBondContact O-N 3.45Å; R930-L932 PolarHBondContact O-N 2.92Å; R930-L933 PolarHBondContact O-N 3.49Å; R930-S934 PolarHBondContact O-N 2.93Å; R930-S934 VanDerWaalsContact O-N 3.1Å; R930-L969 HydrophobicContact CG-CD1 4.38Å
931P83.4Confident81.5Confident67 Ų6757.6 Ų57.644%0.43529%0.287SS..Hα-helixtrans-53.2-50.9169.2-28.634.7000112.8L886 L928 L933 S934 V935L886-P931 HydrophobicContact CD1-CB 4.15Å; L928-P931 WeakPolarHBondContact O-CD 3.38Å; P931-L933 PolarHBondContact O-N 3.46Å; P931-S934 PolarHBondContact O-N 3.23Å; P931-S934 PolarHBondContact O-OG 3.26Å; P931-V935 WeakPolarHBondContact O-CG2 3.34Å; P931-V935 PolarHBondContact O-N 2.66Å; P931-V935 VanDerWaalsContact O-N 3.1Å
932L86.9Confident82.2Confident0 Ų058.1 Ų58.10%029%0.29CS..Hα-helixtrans-57.1-50.9-180-74.8162.9000112.5L882 L886 L914 M921 G929 R930 S934 V935 F936 L958L882-L932 HydrophobicContact CD1-CD1 4.28Å; L882-L932 HydrophobicContact CD1-CD2 3.85Å; L882-L932 HydrophobicContact CD1-CG 4.32Å; L882-L932 HydrophobicContact CD2-CD1 3.86Å; L882-L932 HydrophobicContact CD2-CD2 4.41Å; L882-L932 HydrophobicContact CD2-CG 4Å; L882-L932 HydrophobicContact CG-CD2 4.23Å; L882-L932 HydrophobicContact CG-CG 4.34Å; L886-L932 HydrophobicContact CD1-CD2 4.14Å; L886-L932 HydrophobicContact CD1-CG 4.37Å; L886-L932 HydrophobicContact CD2-CD2 3.64Å; L886-L932 HydrophobicContact CG-CD2 4.26Å; L914-L932 HydrophobicContact CD2-CD2 4.06Å; M921-L932 HydrophobicContact CE-CD1 3.32Å; M921-L932 HydrophobicContact SD-CD1 3.97Å; G929-L932 PolarHBondContact O-N 3.35Å; R930-L932 PolarHBondContact O-N 2.92Å; L932-S934 VanDerWaalsContact C-N 3.28Å; L932-S934 PolarHBondContact O-N 3Å; L932-V935 PolarHBondContact O-N 3.33Å; L932-V935 VanDerWaalsContact O-N 3.09Å; L932-F936 HydrophobicContact CB-CD2 4.42Å; L932-F936 HydrophobicContact CB-CE2 3.89Å; L932-F936 HydrophobicContact CB-CZ 4.3Å; L932-F936 HydrophobicContact CD2-CE1 4.36Å; L932-F936 HydrophobicContact CD2-CE2 4Å; L932-F936 HydrophobicContact CD2-CZ 3.57Å; L932-F936 WeakPolarHBondContact O-CD2 3.47Å; L932-F936 VanDerWaalsContact O-CG 3.29Å; L932-F936 WeakPolarHBondContact O-CG 3.36Å; L932-F936 PolarHBondContact O-N 3.07Å; L932-L958 HydrophobicContact CB-CD2 3.59Å; L932-L958 HydrophobicContact CD1-CD1 4.24Å
933L88Confident82.8Confident4 Ų462.5 Ų62.52%0.02131%0.312CS..Hα-helixtrans-57.2-43.7179.1-160.892.8000110.8G929 R930 P931 V935 F936 L937 L955 L958 L962 L969 L973G929-L933 WeakPolarHBondContact O-CB 3.38Å; G929-L933 PolarHBondContact O-N 3.02Å; R930-L933 PolarHBondContact O-N 3.49Å; P931-L933 PolarHBondContact O-N 3.46Å; L933-V935 VanDerWaalsContact C-N 3.3Å; L933-V935 PolarHBondContact O-N 3.34Å; L933-F936 PolarHBondContact O-N 2.81Å; L933-L937 HydrophobicContact CD2-CD1 3.99Å; L933-L937 HydrophobicContact CG-CD1 4Å; L933-L937 VanDerWaalsContact O-CB 3.24Å; L933-L937 WeakPolarHBondContact O-CB 3.34Å; L933-L937 VanDerWaalsContact O-CG 3.29Å; L933-L937 WeakPolarHBondContact O-CG 3.44Å; L933-L937 PolarHBondContact O-N 2.98Å; L933-L955 HydrophobicContact CD1-CD1 3.49Å; L933-L955 VanDerWaalsContact CD1-CD1 3.49Å; L933-L955 HydrophobicContact CG-CD1 3.99Å; L933-L958 HydrophobicContact CB-CD2 4.08Å; L933-L958 HydrophobicContact CD1-CD2 4.04Å; L933-L962 HydrophobicContact CD1-CD1 3.86Å; L933-L969 HydrophobicContact CD2-CB 4.16Å; L933-L969 HydrophobicContact CD2-CD1 3.72Å; L933-L969 HydrophobicContact CD2-CG 4.4Å; L933-L973 HydrophobicContact CD1-CD1 4.36Å; L933-L973 HydrophobicContact CD1-CD2 4.08Å; L933-L973 HydrophobicContact CD2-CD1 4.22Å; L933-L973 HydrophobicContact CD2-CD2 4.29Å; L933-L973 HydrophobicContact CD2-CG 4.38Å; L933-L973 HydrophobicContact CG-CD2 4.37Å
934S85.8Confident83.6Confident52 Ų5255.6 Ų55.636%0.36428%0.281SS..Hα-helixtrans-64-34.4178.879.40000113.1R930 P931 L932 Q938R930-S934 PolarHBondContact O-N 2.93Å; R930-S934 VanDerWaalsContact O-N 3.1Å; P931-S934 PolarHBondContact O-N 3.23Å; P931-S934 PolarHBondContact O-OG 3.26Å; L932-S934 VanDerWaalsContact C-N 3.28Å; L932-S934 PolarHBondContact O-N 3Å; S934-Q938 VanDerWaalsContact O-CG 3.22Å; S934-Q938 WeakPolarHBondContact O-CG 3.44Å; S934-Q938 PolarHBondContact O-N 3.26Å; S934-Q938 VanDerWaalsContact O-N 3.15Å; S934-Q938 PolarHBondContact O-NE2 2.82Å
935V88Confident84.4Confident11 Ų1154.9 Ų54.97%0.06728%0.275CS..Hα-helixtrans-76.9-43.9179.6172.50000110.8L886 F889 Q890 P931 L932 L933 Q938 G939L886-V935 HydrophobicContact CB-CG2 4.22Å; L886-V935 HydrophobicContact CD1-CG2 4.33Å; L886-V935 HydrophobicContact CD2-CB 3.76Å; L886-V935 HydrophobicContact CD2-CG1 3.67Å; L886-V935 HydrophobicContact CD2-CG2 3.88Å; L886-V935 HydrophobicContact CG-CG2 4.36Å; F889-V935 HydrophobicContact CD1-CG1 3.78Å; F889-V935 HydrophobicContact CE1-CG1 4.34Å; Q890-V935 HydrophobicContact CG-CG1 3.72Å; Q890-V935 HydrophobicContact CG-CG2 4.46Å; P931-V935 WeakPolarHBondContact O-CG2 3.34Å; P931-V935 PolarHBondContact O-N 2.66Å; P931-V935 VanDerWaalsContact O-N 3.1Å; L932-V935 PolarHBondContact O-N 3.33Å; L932-V935 VanDerWaalsContact O-N 3.09Å; L933-V935 VanDerWaalsContact C-N 3.3Å; L933-V935 PolarHBondContact O-N 3.34Å; V935-Q938 PolarHBondContact O-N 3.4Å; V935-G939 PolarHBondContact O-N 3.16Å
936F91.1Very high85.1Confident0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-65.6-39.7175.9-57.8-29.2000111.6F889 L914 L932 L933 Q938 G939 T940 N954 L955 L958F889-F936 HydrophobicContact CE1-CD1 4.39Å; L914-F936 HydrophobicContact CB-CE1 4.23Å; L914-F936 HydrophobicContact CB-CZ 4.1Å; L914-F936 HydrophobicContact CD1-CE1 4.15Å; L932-F936 HydrophobicContact CB-CD2 4.42Å; L932-F936 HydrophobicContact CB-CE2 3.89Å; L932-F936 HydrophobicContact CB-CZ 4.3Å; L932-F936 HydrophobicContact CD2-CE1 4.36Å; L932-F936 HydrophobicContact CD2-CE2 4Å; L932-F936 HydrophobicContact CD2-CZ 3.57Å; L932-F936 WeakPolarHBondContact O-CD2 3.47Å; L932-F936 VanDerWaalsContact O-CG 3.29Å; L932-F936 WeakPolarHBondContact O-CG 3.36Å; L932-F936 PolarHBondContact O-N 3.07Å; L933-F936 PolarHBondContact O-N 2.81Å; F936-Q938 VanDerWaalsContact C-N 3.31Å; F936-Q938 PolarHBondContact O-N 2.97Å; F936-G939 PolarHBondContact O-N 2.92Å; F936-G939 VanDerWaalsContact O-N 3.12Å; F936-T940 WeakPolarHBondContact O-CG2 3.48Å; F936-T940 PolarHBondContact O-N 3.41Å; F936-T940 VanDerWaalsContact O-N 3.09Å; F936-N954 HydrophobicContact CD1-CB 3.9Å; F936-N954 HydrophobicContact CD2-CB 3.92Å; F936-N954 HydrophobicContact CE1-CB 3.73Å; F936-N954 HydrophobicContact CE2-CB 3.73Å; F936-N954 HydrophobicContact CG-CB 4.02Å; F936-N954 HydrophobicContact CZ-CB 3.65Å; F936-L955 HydrophobicContact CB-CB 4.25Å; F936-L955 HydrophobicContact CB-CD1 4.12Å; F936-L958 HydrophobicContact CD2-CD2 4.04Å; F936-L958 HydrophobicContact CE2-CB 4.41Å; F936-L958 HydrophobicContact CE2-CD2 4Å
937L89.1Confident85.8Confident26 Ų2654.5 Ų54.514%0.13627%0.274CS..Hα-helixtrans-64.7-30.3173-78.1170.9000113.5L933 T940 L955 L973 C976L933-L937 HydrophobicContact CD2-CD1 3.99Å; L933-L937 HydrophobicContact CG-CD1 4Å; L933-L937 VanDerWaalsContact O-CB 3.24Å; L933-L937 WeakPolarHBondContact O-CB 3.34Å; L933-L937 VanDerWaalsContact O-CG 3.29Å; L933-L937 WeakPolarHBondContact O-CG 3.44Å; L933-L937 PolarHBondContact O-N 2.98Å; L937-T940 PolarHBondContact O-OG1 3.09Å; L937-L955 HydrophobicContact CD2-CD2 4.12Å; L937-L955 HydrophobicContact CG-CD1 4.25Å; L937-L973 HydrophobicContact CD1-CD2 4.18Å; L937-L973 HydrophobicContact CD2-CD2 4.07Å; L937-L973 HydrophobicContact CG-CD2 4.4Å; L937-C976 HydrophobicContact CD2-CB 4.03Å
938Q88.2Confident86.7Confident109 Ų10948.7 Ų48.751%0.50925%0.245SC..Hα-helixtrans-72.6-40169.5-74.5164.851.500111.2S934 V935 F936 T940 R941S934-Q938 VanDerWaalsContact O-CG 3.22Å; S934-Q938 WeakPolarHBondContact O-CG 3.44Å; S934-Q938 PolarHBondContact O-N 3.26Å; S934-Q938 VanDerWaalsContact O-N 3.15Å; S934-Q938 PolarHBondContact O-NE2 2.82Å; V935-Q938 PolarHBondContact O-N 3.4Å; F936-Q938 VanDerWaalsContact C-N 3.31Å; F936-Q938 PolarHBondContact O-N 2.97Å; Q938-T940 VanDerWaalsContact C-N 3.26Å; Q938-T940 PolarHBondContact O-N 3.28Å; Q938-R941 WeakPolarHBondContact O-CB 3.45Å; Q938-R941 PolarHBondContact O-N 3.22Å
939G87.7Confident87.6Confident6 Ų648 Ų486%0.06224%0.244CC..Hα-helixtrans-63.3-22.717800000114.8V935 F936 R941 D942 R948 S951V935-G939 PolarHBondContact O-N 3.16Å; F936-G939 PolarHBondContact O-N 2.92Å; F936-G939 VanDerWaalsContact O-N 3.12Å; G939-R941 PolarHBondContact O-N 2.86Å; G939-R941 VanDerWaalsContact O-N 3.11Å; G939-D942 WeakPolarHBondContact O-CB 3.27Å; G939-D942 PolarHBondContact O-N 3.32Å; G939-R948 WeakPolarHBondContact O-CG 3.45Å; G939-S951 WeakPolarHBondContact CA-OG 3.32Å
940T89.9Confident88.3Confident6 Ų649 Ų494%0.03725%0.251CS..THydrogen-bonded Turntrans-64.4-10.8169.870.30000113.8F936 L937 Q938 R948 L952 L980F936-T940 WeakPolarHBondContact O-CG2 3.48Å; F936-T940 PolarHBondContact O-N 3.41Å; F936-T940 VanDerWaalsContact O-N 3.09Å; L937-T940 PolarHBondContact O-OG1 3.09Å; Q938-T940 VanDerWaalsContact C-N 3.26Å; Q938-T940 PolarHBondContact O-N 3.28Å; T940-R948 WeakPolarHBondContact O-CD 3.46Å; T940-R948 WeakPolarHBondContact O-CG 3.4Å; T940-L952 HydrophobicContact CG2-CD2 3.74Å; T940-L952 HydrophobicContact CG2-CG 4.02Å; T940-L980 HydrophobicContact CG2-CD1 4.26Å
941R88.1Confident88.8Confident210 Ų21042.1 Ų42.179%0.79223%0.225SC*.THydrogen-bonded Turntrans-110.710.1179-52.6-178.4-175.7175.91.3113.5Q938 G939Q938-R941 WeakPolarHBondContact O-CB 3.45Å; Q938-R941 PolarHBondContact O-N 3.22Å; G939-R941 PolarHBondContact O-N 2.86Å; G939-R941 VanDerWaalsContact O-N 3.11Å
942D88.8Confident89.3Confident25 Ų2538.9 Ų38.913%0.13421%0.205CC..  trans-63.8145175.3-160.8-80.3000110.9R907 G939 D944 V947 R948R907-D942 IonicContact CZ-OD2 3.91Å; R907-D942 IonicContact NH1-OD1 2.82Å; R907-D942 IonicContact NH1-OD2 2.68Å; R907-D942 PolarHBondContact NH1-OD2 2.88Å; R907-D942 IonicContact NH2-OD2 3.26Å; R907-D942 PolarHBondContact NH2-OD2 3.08Å; G939-D942 WeakPolarHBondContact O-CB 3.27Å; G939-D942 PolarHBondContact O-N 3.32Å; D942-D944 PolarHBondContact O-N 2.87Å; D942-D944 WeakPolarHBondContact OD1-CB 3.36Å; D942-D944 PolarHBondContact OD1-N 3.31Å; D942-V947 HydrophobicContact CB-CB 3.95Å; D942-V947 HydrophobicContact CB-CG1 3.66Å; D942-R948 HydrophobicContact CB-CG 4.15Å; D942-R948 WeakPolarHBondContact O-CD 3.37Å; D942-R948 WeakPolarHBondContact O-CG 3.29Å
943P84.9Confident89.5Confident132 Ų13242 Ų4286%0.85723%0.226SC*.SBendtrans-61.4-23.1174.224.4-35.9000114.2
944D87.9Confident89.7Confident42 Ų4242 Ų4223%0.22523%0.226CC..SBendtrans-90.6131-179-173.5-89.7000113.1L904 D942 S946 V947 R948L904-D944 HydrophobicContact CD1-CB 4.14Å; L904-D944 WeakPolarHBondContact CD2-OD2 3.34Å; D942-D944 PolarHBondContact O-N 2.87Å; D942-D944 WeakPolarHBondContact OD1-CB 3.36Å; D942-D944 PolarHBondContact OD1-N 3.31Å; D944-S946 VanDerWaalsContact C-N 3.33Å; D944-S946 PolarHBondContact O-N 2.88Å; D944-S946 VanDerWaalsContact OD1-CA 3.3Å; D944-S946 WeakPolarHBondContact OD1-CA 3.38Å; D944-S946 WeakPolarHBondContact OD1-CB 3.35Å; D944-S946 PolarHBondContact OD1-N 2.84Å; D944-S946 PolarHBondContact OD1-OG 3.17Å; D944-V947 HydrophobicContact CB-CB 4.24Å; D944-V947 HydrophobicContact CB-CG2 3.93Å; D944-V947 PolarHBondContact O-N 3.06Å; D944-V947 PolarHBondContact OD1-N 3.16Å; D944-R948 WeakPolarHBondContact O-CG 3.41Å; D944-R948 PolarHBondContact O-N 2.95Å; D944-R948 VanDerWaalsContact O-N 3.11Å
945Q90.6Very high89.9Confident72 Ų7239.5 Ų39.534%0.33621%0.209SC..Hα-helixtrans-64.7-35.6-178.477.7-17545.300113.2R948 A949 E986 E988 V989Q945-R948 PolarHBondContact O-N 3.35Å; Q945-A949 WeakPolarHBondContact O-CB 3.42Å; Q945-A949 PolarHBondContact O-N 3.49Å; Q945-E986 HydrophobicContact CB-CG 4.25Å; Q945-E988 PolarHBondContact NE2-OE2 2.7Å; Q945-V989 HydrophobicContact CB-CG2 4.27Å
946S89.1Confident90Very high43 Ų4339 Ų3930%0.30121%0.206SC..Hα-helixtrans-68.7-40-179.4-110000110.5D944 A949 S950D944-S946 VanDerWaalsContact C-N 3.33Å; D944-S946 PolarHBondContact O-N 2.88Å; D944-S946 VanDerWaalsContact OD1-CA 3.3Å; D944-S946 WeakPolarHBondContact OD1-CA 3.38Å; D944-S946 WeakPolarHBondContact OD1-CB 3.35Å; D944-S946 PolarHBondContact OD1-N 2.84Å; D944-S946 PolarHBondContact OD1-OG 3.17Å; S946-A949 PolarHBondContact O-N 3.29Å; S946-S950 VanDerWaalsContact O-CB 3.23Å; S946-S950 WeakPolarHBondContact O-CB 3.5Å; S946-S950 PolarHBondContact O-N 2.86Å
947V88.8Confident89.9Confident0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-65.7-40.5173.5-179.40000111F889 L904 L908 D942 D944 S951F889-V947 HydrophobicContact CZ-CG1 4.39Å; L904-V947 HydrophobicContact CD1-CG2 3.43Å; L904-V947 VanDerWaalsContact CD1-CG2 3.43Å; L908-V947 HydrophobicContact CD2-CG2 4.14Å; D942-V947 HydrophobicContact CB-CB 3.95Å; D942-V947 HydrophobicContact CB-CG1 3.66Å; D944-V947 HydrophobicContact CB-CB 4.24Å; D944-V947 HydrophobicContact CB-CG2 3.93Å; D944-V947 PolarHBondContact O-N 3.06Å; D944-V947 PolarHBondContact OD1-N 3.16Å; V947-S951 VanDerWaalsContact O-CB 3.26Å; V947-S951 WeakPolarHBondContact O-CB 3.36Å; V947-S951 PolarHBondContact O-N 3.13Å; V947-S951 PolarHBondContact O-OG 2.94Å
948R92.6Very high89.8Confident37 Ų3738.7 Ų38.714%0.1420%0.204CC..Hα-helixtrans-63.8-45.4175.1-66.9-172.7-66.2153.114.3112.1G939 T940 D942 D944 Q945 S951 L952 E984 V989G939-R948 WeakPolarHBondContact O-CG 3.45Å; T940-R948 WeakPolarHBondContact O-CD 3.46Å; T940-R948 WeakPolarHBondContact O-CG 3.4Å; D942-R948 HydrophobicContact CB-CG 4.15Å; D942-R948 WeakPolarHBondContact O-CD 3.37Å; D942-R948 WeakPolarHBondContact O-CG 3.29Å; D944-R948 WeakPolarHBondContact O-CG 3.41Å; D944-R948 PolarHBondContact O-N 2.95Å; D944-R948 VanDerWaalsContact O-N 3.11Å; Q945-R948 PolarHBondContact O-N 3.35Å; R948-S951 PolarHBondContact O-N 3.5Å; R948-L952 WeakPolarHBondContact O-CG 3.37Å; R948-L952 PolarHBondContact O-N 3.34Å; R948-E984 IonicContact CZ-OE1 2.86Å; R948-E984 IonicContact CZ-OE2 3.24Å; R948-E984 IonicContact NH1-OE1 3.55Å; R948-E984 PolarHBondContact NH1-OE1 3.36Å; R948-E984 IonicContact NH1-OE2 2.76Å; R948-E984 PolarHBondContact NH1-OE2 2.95Å; R948-E984 IonicContact NH2-OE1 3.17Å; R948-E984 PolarHBondContact NH2-OE1 2.94Å; R948-E984 IonicContact NH2-OE2 3.88Å; R948-V989 HydrophobicContact CB-CG1 4.17Å; R948-V989 HydrophobicContact CB-CG2 4.07Å
949A91.3Very high89.8Confident20 Ų2033.5 Ų33.517%0.16518%0.18CC..Hα-helixtrans-65.2-43.5177.100000112.4Q945 S946 L952 S953 V989Q945-A949 WeakPolarHBondContact O-CB 3.42Å; Q945-A949 PolarHBondContact O-N 3.49Å; S946-A949 PolarHBondContact O-N 3.29Å; A949-L952 PolarHBondContact O-N 2.88Å; A949-S953 PolarHBondContact O-N 3.45Å; A949-V989 HydrophobicContact CB-CG2 4.42Å
950S92.1Very high89.7Confident22 Ų2235.9 Ų35.915%0.15419%0.189CC..Hα-helixtrans-60.8-45.2173.2174.50000111.5S946 L952 S953 N954S946-S950 VanDerWaalsContact O-CB 3.23Å; S946-S950 WeakPolarHBondContact O-CB 3.5Å; S946-S950 PolarHBondContact O-N 2.86Å; S950-L952 VanDerWaalsContact C-N 3.3Å; S950-L952 PolarHBondContact O-N 3.48Å; S950-S953 WeakPolarHBondContact O-CB 3.24Å; S950-S953 PolarHBondContact O-N 3.25Å; S950-N954 WeakPolarHBondContact O-CB 3.47Å; S950-N954 VanDerWaalsContact O-CG 3.24Å; S950-N954 PolarHBondContact O-N 3.31Å; S950-N954 PolarHBondContact O-OD1 2.92Å; S950-N954 VanDerWaalsContact O-OD1 3.08Å
951S93.4Very high89.5Confident0 Ų039.2 Ų39.20%020%0.201CC..Hα-helixtrans-60.2-38.9176.9-59.70000112.2G939 V947 R948 L955G939-S951 WeakPolarHBondContact CA-OG 3.32Å; V947-S951 VanDerWaalsContact O-CB 3.26Å; V947-S951 WeakPolarHBondContact O-CB 3.36Å; V947-S951 PolarHBondContact O-N 3.13Å; V947-S951 PolarHBondContact O-OG 2.94Å; R948-S951 PolarHBondContact O-N 3.5Å; S951-L955 VanDerWaalsContact O-CB 3.27Å; S951-L955 WeakPolarHBondContact O-CB 3.41Å; S951-L955 PolarHBondContact O-N 3.05Å
952L93.6Very high89.1Confident0 Ų029.5 Ų29.50%017%0.165CC..Hα-helixtrans-69.6-42.8174.8-72.8165.4000112.5T940 R948 A949 S950 N954 L955 G956 L977 L980 V989 A992 T993 V996T940-L952 HydrophobicContact CG2-CD2 3.74Å; T940-L952 HydrophobicContact CG2-CG 4.02Å; R948-L952 WeakPolarHBondContact O-CG 3.37Å; R948-L952 PolarHBondContact O-N 3.34Å; A949-L952 PolarHBondContact O-N 2.88Å; S950-L952 VanDerWaalsContact C-N 3.3Å; S950-L952 PolarHBondContact O-N 3.48Å; L952-N954 VanDerWaalsContact C-N 3.31Å; L952-N954 PolarHBondContact O-N 3.27Å; L952-L955 HydrophobicContact CD2-CD2 4.33Å; L952-L955 WeakPolarHBondContact O-CB 3.47Å; L952-L955 PolarHBondContact O-N 2.81Å; L952-G956 PolarHBondContact O-N 3.29Å; L952-L977 HydrophobicContact CD2-CD2 4.03Å; L952-L980 HydrophobicContact CD1-CD1 4.45Å; L952-L980 HydrophobicContact CD2-CD1 3.94Å; L952-V989 HydrophobicContact CD1-CG1 3.63Å; L952-V989 WeakPolarHBondContact CD1-O 3.46Å; L952-A992 HydrophobicContact CB-CB 3.76Å; L952-A992 HydrophobicContact CD1-CB 4.02Å; L952-T993 VanDerWaalsContact CD1-OG1 3.29Å; L952-T993 WeakPolarHBondContact CD1-OG1 3.5Å; L952-V996 HydrophobicContact CB-CG2 4.21Å; L952-V996 HydrophobicContact CD2-CG2 4.22Å; L952-V996 WeakPolarHBondContact O-CG2 3.3Å
953S91.6Very high88.8Confident64 Ų6430.7 Ų30.745%0.44817%0.171SC..Hα-helixtrans-56.2-47.8174.2-170.30000111.3A949 S950 L955 G956 E957A949-S953 PolarHBondContact O-N 3.45Å; S950-S953 WeakPolarHBondContact O-CB 3.24Å; S950-S953 PolarHBondContact O-N 3.25Å; S953-L955 VanDerWaalsContact C-N 3.34Å; S953-L955 PolarHBondContact O-N 2.89Å; S953-G956 PolarHBondContact O-N 3.06Å; S953-G956 VanDerWaalsContact O-N 3.15Å; S953-E957 PolarHBondContact O-N 3.24Å; S953-E957 VanDerWaalsContact O-N 3.14Å
954N90.4Very high88.6Confident4 Ų430.2 Ų30.22%0.02115%0.153CC..Hα-helixtrans-64.6-36.3177.3-68.218.5000112.8G911 M915 F936 S950 L952 L958G911-N954 PolarHBondContact O-ND2 3.38Å; M915-N954 WeakPolarHBondContact CB-OD1 3.42Å; F936-N954 HydrophobicContact CD1-CB 3.9Å; F936-N954 HydrophobicContact CD2-CB 3.92Å; F936-N954 HydrophobicContact CE1-CB 3.73Å; F936-N954 HydrophobicContact CE2-CB 3.73Å; F936-N954 HydrophobicContact CG-CB 4.02Å; F936-N954 HydrophobicContact CZ-CB 3.65Å; S950-N954 WeakPolarHBondContact O-CB 3.47Å; S950-N954 VanDerWaalsContact O-CG 3.24Å; S950-N954 PolarHBondContact O-N 3.31Å; S950-N954 PolarHBondContact O-OD1 2.92Å; S950-N954 VanDerWaalsContact O-OD1 3.08Å; L952-N954 VanDerWaalsContact C-N 3.31Å; L952-N954 PolarHBondContact O-N 3.27Å; N954-L958 WeakPolarHBondContact O-CB 3.07Å; N954-L958 PolarHBondContact O-N 3.33Å; N954-L958 VanDerWaalsContact O-N 3.11Å
955L91.4Very high88.3Confident0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-63.9-39.9173.4-17069.5000111.2L933 F936 L937 S951 L952 S953 C959 L973 L977 V996L933-L955 HydrophobicContact CD1-CD1 3.49Å; L933-L955 VanDerWaalsContact CD1-CD1 3.49Å; L933-L955 HydrophobicContact CG-CD1 3.99Å; F936-L955 HydrophobicContact CB-CB 4.25Å; F936-L955 HydrophobicContact CB-CD1 4.12Å; L937-L955 HydrophobicContact CD2-CD2 4.12Å; L937-L955 HydrophobicContact CG-CD1 4.25Å; S951-L955 VanDerWaalsContact O-CB 3.27Å; S951-L955 WeakPolarHBondContact O-CB 3.41Å; S951-L955 PolarHBondContact O-N 3.05Å; L952-L955 HydrophobicContact CD2-CD2 4.33Å; L952-L955 WeakPolarHBondContact O-CB 3.47Å; L952-L955 PolarHBondContact O-N 2.81Å; S953-L955 VanDerWaalsContact C-N 3.34Å; S953-L955 PolarHBondContact O-N 2.89Å; L955-C959 WeakPolarHBondContact O-CB 3.33Å; L955-C959 PolarHBondContact O-N 3.17Å; L955-C959 PolarHBondContact O-SG 3.42Å; L955-L973 HydrophobicContact CD1-CD2 3.97Å; L955-L973 HydrophobicContact CD2-CD2 4.11Å; L955-L973 HydrophobicContact CG-CD2 4.32Å; L955-L977 HydrophobicContact CD2-CD2 4.46Å; L955-V996 HydrophobicContact CB-CG2 4.45Å; L955-V996 HydrophobicContact CD2-CG1 4.32Å; L955-V996 HydrophobicContact CG-CG1 4.37Å
956G89.5Confident88Confident1 Ų126.5 Ų26.51%0.0114%0.138CC..Hα-helixtrans-62.1-55.3176.600000112.9L952 S953 L958 C959 Q960L952-G956 PolarHBondContact O-N 3.29Å; S953-G956 PolarHBondContact O-N 3.06Å; S953-G956 VanDerWaalsContact O-N 3.15Å; G956-L958 VanDerWaalsContact C-N 3.28Å; G956-L958 PolarHBondContact O-N 3.23Å; G956-C959 PolarHBondContact O-N 2.95Å; G956-Q960 PolarHBondContact O-N 2.9Å
957E88.4Confident87.7Confident20 Ų2025.9 Ų25.99%0.09314%0.139CC..Hα-helixtrans-57.5-39.5177.8179.874.5-148.400111.9M915 R919 S953 R961M915-E957 HydrophobicContact CG-CB 4.36Å; M915-E957 HydrophobicContact CG-CG 4.32Å; M915-E957 HydrophobicContact SD-CG 4.37Å; R919-E957 HydrophobicContact CB-CG 4.32Å; R919-E957 WeakPolarHBondContact CB-OE1 3.39Å; R919-E957 WeakPolarHBondContact CG-OE1 3.43Å; R919-E957 IonicContact CZ-OE2 2.89Å; R919-E957 IonicContact NE-OE1 3.84Å; R919-E957 PolarHBondContact NE-OE1 3.12Å; R919-E957 IonicContact NE-OE2 2.72Å; R919-E957 PolarHBondContact NE-OE2 2.87Å; R919-E957 IonicContact NH2-OE2 3.21Å; R919-E957 PolarHBondContact NH2-OE2 2.86Å; S953-E957 PolarHBondContact O-N 3.24Å; S953-E957 VanDerWaalsContact O-N 3.14Å; E957-R961 VanDerWaalsContact O-CD 3.23Å; E957-R961 WeakPolarHBondContact O-CD 3.45Å; E957-R961 PolarHBondContact O-NE 2.88Å; E957-R961 IonicContact OE1-CZ 3.13Å; E957-R961 IonicContact OE1-NE 3.35Å; E957-R961 PolarHBondContact OE1-NE 3.41Å; E957-R961 IonicContact OE1-NH2 3.73Å; E957-R961 PolarHBondContact OE1-NH2 3.27Å
958L88.4Confident87.5Confident0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-69.4-50.5176.6179.165.1000112M921 L932 L933 F936 N954 G956 Q960 R961 L962M921-L958 HydrophobicContact CE-CD1 3.92Å; L932-L958 HydrophobicContact CB-CD2 3.59Å; L932-L958 HydrophobicContact CD1-CD1 4.24Å; L933-L958 HydrophobicContact CB-CD2 4.08Å; L933-L958 HydrophobicContact CD1-CD2 4.04Å; F936-L958 HydrophobicContact CD2-CD2 4.04Å; F936-L958 HydrophobicContact CE2-CB 4.41Å; F936-L958 HydrophobicContact CE2-CD2 4Å; N954-L958 WeakPolarHBondContact O-CB 3.07Å; N954-L958 PolarHBondContact O-N 3.33Å; N954-L958 VanDerWaalsContact O-N 3.11Å; G956-L958 VanDerWaalsContact C-N 3.28Å; G956-L958 PolarHBondContact O-N 3.23Å; L958-Q960 PolarHBondContact O-N 2.88Å; L958-R961 WeakPolarHBondContact O-CB 3.34Å; L958-R961 PolarHBondContact O-N 3.28Å; L958-L962 HydrophobicContact CD1-CD2 4.28Å; L958-L962 HydrophobicContact CD1-CG 4.39Å; L958-L962 HydrophobicContact CG-CD1 4.13Å; L958-L962 HydrophobicContact CG-CG 4.27Å; L958-L962 PolarHBondContact O-N 3.37Å
959C87.1Confident87Confident0 Ų029.9 Ų29.90%017%0.168CC..Hα-helixtrans-59.7-34.6-177-80.80000112.8L955 G956 R961 L962 L966 L1000L955-C959 WeakPolarHBondContact O-CB 3.33Å; L955-C959 PolarHBondContact O-N 3.17Å; L955-C959 PolarHBondContact O-SG 3.42Å; G956-C959 PolarHBondContact O-N 2.95Å; C959-R961 PolarHBondContact O-N 3.12Å; C959-R961 VanDerWaalsContact O-N 3.07Å; C959-L962 PolarHBondContact O-N 3.47Å; C959-L966 HydrophobicContact CB-CD1 4.24Å; C959-L1000 HydrophobicContact CB-CD1 3.63Å
960Q86.6Confident86.9Confident55 Ų5529.3 Ų29.326%0.25716%0.163SC..Hα-helixtrans-55.9-23173.9-164-175.627.200113.2G956 L958G956-Q960 PolarHBondContact O-N 2.9Å; L958-Q960 PolarHBondContact O-N 2.88Å
961R84.7Confident86.7Confident77 Ų7733 Ų3329%0.29118%0.178SC..Hα-helixtrans-111.6-6.5-170.9-61163.6178.7-88.9-10.7114.3S918 R919 A925 E957 L958 C959S918-R961 VanDerWaalsContact O-CD 3.26Å; S918-R961 WeakPolarHBondContact O-CD 3.37Å; R919-R961 PolarHBondContact O-NH1 3.2Å; R919-R961 PolarHBondContact O-NH2 3.16Å; A925-R961 HydrophobicContact CB-CB 4.2Å; E957-R961 VanDerWaalsContact O-CD 3.23Å; E957-R961 WeakPolarHBondContact O-CD 3.45Å; E957-R961 PolarHBondContact O-NE 2.88Å; E957-R961 IonicContact OE1-CZ 3.13Å; E957-R961 IonicContact OE1-NE 3.35Å; E957-R961 PolarHBondContact OE1-NE 3.41Å; E957-R961 IonicContact OE1-NH2 3.73Å; E957-R961 PolarHBondContact OE1-NH2 3.27Å; L958-R961 WeakPolarHBondContact O-CB 3.34Å; L958-R961 PolarHBondContact O-N 3.28Å; C959-R961 PolarHBondContact O-N 3.12Å; C959-R961 VanDerWaalsContact O-N 3.07Å
962L80.5Confident86.4Confident5 Ų538.8 Ų38.83%0.02621%0.205CC..Hα-helixtrans-81.1-19.1-175.9-73.7178.7000113.7A925 L933 L958 C959 Y964 S965 L966A925-L962 WeakPolarHBondContact O-CD2 3.5Å; L933-L962 HydrophobicContact CD1-CD1 3.86Å; L958-L962 HydrophobicContact CD1-CD2 4.28Å; L958-L962 HydrophobicContact CD1-CG 4.39Å; L958-L962 HydrophobicContact CG-CD1 4.13Å; L958-L962 HydrophobicContact CG-CG 4.27Å; L958-L962 PolarHBondContact O-N 3.37Å; C959-L962 PolarHBondContact O-N 3.47Å; L962-Y964 PolarHBondContact O-N 3.14Å; L962-S965 WeakPolarHBondContact O-CA 3.38Å; L962-S965 VanDerWaalsContact O-CB 3.32Å; L962-S965 WeakPolarHBondContact O-CB 3.28Å; L962-S965 PolarHBondContact O-N 2.95Å; L962-S965 PolarHBondContact O-OG 3Å; L962-L966 HydrophobicContact CB-CB 4.06Å; L962-L966 HydrophobicContact CB-CD1 4.08Å; L962-L966 HydrophobicContact CD1-CD1 3.97Å
963D82.9Confident86.3Confident50 Ų5038.9 Ų38.927%0.26721%0.205SC..G310 helixtrans55.3-139.1170.5-132.831.6000111.3S965 L966 K1007D963-S965 PolarHBondContact O-N 2.85Å; D963-S965 VanDerWaalsContact O-N 3.13Å; D963-L966 WeakPolarHBondContact O-CB 3.44Å; D963-L966 PolarHBondContact O-N 2.91Å; D963-L966 VanDerWaalsContact O-N 3.16Å; D963-K1007 VanDerWaalsContact OD1-CD 3.28Å; D963-K1007 WeakPolarHBondContact OD1-CD 3.42Å; D963-K1007 IonicContact OD1-NZ 2.81Å; D963-K1007 PolarHBondContact OD1-NZ 3.25Å; D963-K1007 IonicContact OD2-NZ 3.4Å; D963-K1007 PolarHBondContact OD2-NZ 3.01Å
964Y80.9Confident86.3Confident123 Ų12336.2 Ų36.248%0.48219%0.187SC..G310 helixtrans-59.4-20.6174.8-65.4-79.4000114.8L962 L966 G967 K1007 Q1010 V1011L962-Y964 PolarHBondContact O-N 3.14Å; Y964-L966 PolarHBondContact O-N 3.26Å; Y964-G967 PolarHBondContact O-N 3.19Å; Y964-K1007 HydrophobicContact CD2-CD 4.47Å; Y964-K1007 HydrophobicContact CE2-CD 3.88Å; Y964-K1007 HydrophobicContact CE2-CG 4.36Å; Y964-Q1010 HydrophobicContact CE1-CB 4.42Å; Y964-Q1010 PolarHBondContact OH-OE1 2.96Å; Y964-V1011 HydrophobicContact CD1-CG2 3.58Å; Y964-V1011 HydrophobicContact CE1-CG2 3.97Å; Y964-V1011 HydrophobicContact CG-CG2 4.3Å
965S80.3Confident86.3Confident35 Ų3539.6 Ų39.625%0.24521%0.211CC..G310 helixtrans-71.1-14.1178.780.30000113.4L962 D963L962-S965 WeakPolarHBondContact O-CA 3.38Å; L962-S965 VanDerWaalsContact O-CB 3.32Å; L962-S965 WeakPolarHBondContact O-CB 3.28Å; L962-S965 PolarHBondContact O-N 2.95Å; L962-S965 PolarHBondContact O-OG 3Å; D963-S965 PolarHBondContact O-N 2.85Å; D963-S965 VanDerWaalsContact O-N 3.13Å
966L83.9Confident86.4Confident1 Ų140.7 Ų40.71%0.00522%0.218CC..G310 helixtrans-68.3-33.2171.2-16990.2000112.9C959 L962 D963 Y964 L969 A970 L973 L1000 L1004 V1011 L1012C959-L966 HydrophobicContact CB-CD1 4.24Å; L962-L966 HydrophobicContact CB-CB 4.06Å; L962-L966 HydrophobicContact CB-CD1 4.08Å; L962-L966 HydrophobicContact CD1-CD1 3.97Å; D963-L966 WeakPolarHBondContact O-CB 3.44Å; D963-L966 PolarHBondContact O-N 2.91Å; D963-L966 VanDerWaalsContact O-N 3.16Å; Y964-L966 PolarHBondContact O-N 3.26Å; L966-L969 CarbonylContact O-C 3.58Å; L966-L969 WeakPolarHBondContact O-CA 3.27Å; L966-L969 PolarHBondContact O-N 3.03Å; L966-A970 PolarHBondContact O-N 3.34Å; L966-A970 VanDerWaalsContact O-N 3.11Å; L966-L973 HydrophobicContact CD1-CD1 3.53Å; L966-L973 HydrophobicContact CG-CD1 4.13Å; L966-L1000 HydrophobicContact CD1-CD1 4.08Å; L966-L1000 HydrophobicContact CD2-CD1 3.6Å; L966-L1000 HydrophobicContact CD2-CG 4.35Å; L966-L1000 HydrophobicContact CG-CD1 4.49Å; L966-L1004 HydrophobicContact CD2-CD1 3.89Å; L966-L1004 HydrophobicContact CD2-CD2 4.5Å; L966-V1011 HydrophobicContact CB-CG1 4.11Å; L966-V1011 HydrophobicContact CD2-CG1 4.03Å; L966-L1012 HydrophobicContact CD2-CD2 3.88Å
967G83.1Confident86.6Confident30 Ų3040.7 Ų40.731%0.30922%0.218SC..G310 helixtrans-49-49.8-16900000114.9Y964 L969 A970Y964-G967 PolarHBondContact O-N 3.19Å; G967-L969 PolarHBondContact O-N 3.14Å; G967-A970 WeakPolarHBondContact O-CB 3.47Å; G967-A970 PolarHBondContact O-N 3.23Å
968P84.3Confident86.8Confident92 Ų9240.7 Ų40.760%0.59722%0.219SC*.G310 helixtrans-61.5-10.7176.9-25.335.8000115.9
969L83.6Confident86.9Confident29 Ų2942.9 Ų42.915%0.15224%0.237CC..G310 helixtrans-119.7-1.6-176.4-62.6164.7000112.1R930 L933 L966 G967 Q971 E972 L973R930-L969 HydrophobicContact CG-CD1 4.38Å; L933-L969 HydrophobicContact CD2-CB 4.16Å; L933-L969 HydrophobicContact CD2-CD1 3.72Å; L933-L969 HydrophobicContact CD2-CG 4.4Å; L966-L969 CarbonylContact O-C 3.58Å; L966-L969 WeakPolarHBondContact O-CA 3.27Å; L966-L969 PolarHBondContact O-N 3.03Å; G967-L969 PolarHBondContact O-N 3.14Å; L969-Q971 VanDerWaalsContact C-N 3.31Å; L969-Q971 PolarHBondContact O-N 3Å; L969-E972 PolarHBondContact O-N 3.27Å; L969-L973 HydrophobicContact CB-CD1 4.4Å; L969-L973 WeakPolarHBondContact O-CG 3.41Å; L969-L973 PolarHBondContact O-N 3.03Å
970A87.5Confident87.2Confident7 Ų743.7 Ų43.76%0.05824%0.241CC..Hα-helixtrans-59.8-37.7-176.900000113.2L966 G967 S974 L1012 V1015L966-A970 PolarHBondContact O-N 3.34Å; L966-A970 VanDerWaalsContact O-N 3.11Å; G967-A970 WeakPolarHBondContact O-CB 3.47Å; G967-A970 PolarHBondContact O-N 3.23Å; A970-S974 VanDerWaalsContact O-CB 3.22Å; A970-S974 WeakPolarHBondContact O-CB 3.26Å; A970-S974 PolarHBondContact O-N 3.46Å; A970-L1012 HydrophobicContact CB-CD2 3.75Å; A970-V1015 HydrophobicContact CB-CG2 4.29Å
971Q87.9Confident87.4Confident100 Ų10041.7 Ų41.747%0.46723%0.232SC..Hα-helixtrans-66.2-41.7176.2-72.6-68.8-8.600112.5L969 S975 D1014 V1015L969-Q971 VanDerWaalsContact C-N 3.31Å; L969-Q971 PolarHBondContact O-N 3Å; Q971-S975 VanDerWaalsContact O-CB 3.23Å; Q971-S975 WeakPolarHBondContact O-CB 3.26Å; Q971-S975 PolarHBondContact O-N 3.26Å; Q971-S975 PolarHBondContact O-OG 3.21Å; Q971-D1014 PolarHBondContact NE2-O 3.01Å; Q971-D1014 VanDerWaalsContact NE2-O 3.08Å; Q971-V1015 HydrophobicContact CG-CG1 4.04Å
972E88Confident87.6Confident121 Ų12144.4 Ų44.457%0.56525%0.246SC*.Hα-helixtrans-67.3-43.9177.9-61.2-174.9175.600111.2L969 C976L969-E972 PolarHBondContact O-N 3.27Å; E972-C976 WeakPolarHBondContact O-CB 3.45Å; E972-C976 PolarHBondContact O-N 3.33Å
973L90.3Very high88Confident3 Ų349.1 Ų49.12%0.01628%0.275CS..Hα-helixtrans-63.1-51.3176.2-73.8164000111.9L933 L937 L955 L966 L969 S975 C976 L977L933-L973 HydrophobicContact CD1-CD1 4.36Å; L933-L973 HydrophobicContact CD1-CD2 4.08Å; L933-L973 HydrophobicContact CD2-CD1 4.22Å; L933-L973 HydrophobicContact CD2-CD2 4.29Å; L933-L973 HydrophobicContact CD2-CG 4.38Å; L933-L973 HydrophobicContact CG-CD2 4.37Å; L937-L973 HydrophobicContact CD1-CD2 4.18Å; L937-L973 HydrophobicContact CD2-CD2 4.07Å; L937-L973 HydrophobicContact CG-CD2 4.4Å; L955-L973 HydrophobicContact CD1-CD2 3.97Å; L955-L973 HydrophobicContact CD2-CD2 4.11Å; L955-L973 HydrophobicContact CG-CD2 4.32Å; L966-L973 HydrophobicContact CD1-CD1 3.53Å; L966-L973 HydrophobicContact CG-CD1 4.13Å; L969-L973 HydrophobicContact CB-CD1 4.4Å; L969-L973 WeakPolarHBondContact O-CG 3.41Å; L969-L973 PolarHBondContact O-N 3.03Å; L973-S975 VanDerWaalsContact C-N 3.32Å; L973-S975 PolarHBondContact O-N 3.31Å; L973-C976 PolarHBondContact O-N 2.87Å; L973-C976 VanDerWaalsContact O-N 3.16Å; L973-L977 WeakPolarHBondContact O-CG 3.48Å; L973-L977 PolarHBondContact O-N 3Å
974S91.7Very high88.4Confident8 Ų847.9 Ų47.96%0.05627%0.268CS..Hα-helixtrans-59.5-43.4178.4-178.20000111.8A970 C976 T978A970-S974 VanDerWaalsContact O-CB 3.22Å; A970-S974 WeakPolarHBondContact O-CB 3.26Å; A970-S974 PolarHBondContact O-N 3.46Å; S974-C976 VanDerWaalsContact C-N 3.35Å; S974-C976 PolarHBondContact O-N 3.22Å; S974-T978 WeakPolarHBondContact O-CB 3.22Å; S974-T978 PolarHBondContact O-N 3.41Å; S974-T978 PolarHBondContact O-OG1 3.45Å
975S91.9Very high88.7Confident75 Ų7552.2 Ų52.252%0.52428%0.283SS..Hα-helixtrans-61.1-42175.7-62.40000112.1Q971 L973 A979Q971-S975 VanDerWaalsContact O-CB 3.23Å; Q971-S975 WeakPolarHBondContact O-CB 3.26Å; Q971-S975 PolarHBondContact O-N 3.26Å; Q971-S975 PolarHBondContact O-OG 3.21Å; L973-S975 VanDerWaalsContact C-N 3.32Å; L973-S975 PolarHBondContact O-N 3.31Å; S975-A979 VanDerWaalsContact O-CB 3.26Å; S975-A979 WeakPolarHBondContact O-CB 3.44Å; S975-A979 PolarHBondContact O-N 3.11Å
976C92.3Very high89.3Confident22 Ų2254.1 Ų54.115%0.14929%0.288CS..Hα-helixtrans-66.3-50.9178.7-175.10000112.1L937 E972 L973 S974 T978 A979 L980L937-C976 HydrophobicContact CD2-CB 4.03Å; E972-C976 WeakPolarHBondContact O-CB 3.45Å; E972-C976 PolarHBondContact O-N 3.33Å; L973-C976 PolarHBondContact O-N 2.87Å; L973-C976 VanDerWaalsContact O-N 3.16Å; S974-C976 VanDerWaalsContact C-N 3.35Å; S974-C976 PolarHBondContact O-N 3.22Å; C976-T978 PolarHBondContact O-N 3.41Å; C976-A979 PolarHBondContact O-N 3.28Å; C976-L980 WeakPolarHBondContact O-CG 3.47Å; C976-L980 PolarHBondContact O-N 3.46Å
977L93.9Very high89.6Confident2 Ų255.5 Ų55.51%0.0130%0.3CS..Hα-helixtrans-65.4-40.8-179.2-61.4171000111.5L952 L955 L973 A979 L980 I981 T993 V996 I997L952-L977 HydrophobicContact CD2-CD2 4.03Å; L955-L977 HydrophobicContact CD2-CD2 4.46Å; L973-L977 WeakPolarHBondContact O-CG 3.48Å; L973-L977 PolarHBondContact O-N 3Å; L977-A979 VanDerWaalsContact C-N 3.33Å; L977-A979 PolarHBondContact O-N 3.38Å; L977-L980 PolarHBondContact O-N 3.47Å; L977-I981 WeakPolarHBondContact O-CG1 3.39Å; L977-I981 PolarHBondContact O-N 2.95Å; L977-T993 HydrophobicContact CB-CG2 4.02Å; L977-T993 HydrophobicContact CD2-CG2 3.75Å; L977-T993 WeakPolarHBondContact O-CG2 3.49Å; L977-V996 HydrophobicContact CD1-CB 4.26Å; L977-V996 HydrophobicContact CD1-CG1 3.71Å; L977-V996 HydrophobicContact CD2-CB 3.92Å; L977-V996 HydrophobicContact CD2-CG1 3.93Å; L977-V996 HydrophobicContact CD2-CG2 4.33Å; L977-V996 HydrophobicContact CG-CG1 4.48Å; L977-I997 HydrophobicContact CB-CD1 4.41Å; L977-I997 HydrophobicContact CB-CG1 4.4Å; L977-I997 HydrophobicContact CD1-CG1 3.93Å
978T92.5Very high89.9Confident19 Ų1958.5 Ų58.512%0.11731%0.306CS..Hα-helixtrans-68.3-30177-59.70000112.6S974 C976 K982 A1022S974-T978 WeakPolarHBondContact O-CB 3.22Å; S974-T978 PolarHBondContact O-N 3.41Å; S974-T978 PolarHBondContact O-OG1 3.45Å; C976-T978 PolarHBondContact O-N 3.41Å; T978-K982 HydrophobicContact CG2-CD 4.43Å; T978-K982 WeakPolarHBondContact O-CD 3.31Å; T978-K982 WeakPolarHBondContact O-CG 3.39Å; T978-A1022 HydrophobicContact CG2-CB 4.35Å
979A91.7Very high90.3Very high47 Ų4754.1 Ų54.139%0.38828%0.278SS..Hα-helixtrans-70.6-51.4171.700000110.9S975 C976 L977 I981 K982 T983S975-A979 VanDerWaalsContact O-CB 3.26Å; S975-A979 WeakPolarHBondContact O-CB 3.44Å; S975-A979 PolarHBondContact O-N 3.11Å; C976-A979 PolarHBondContact O-N 3.28Å; L977-A979 VanDerWaalsContact C-N 3.33Å; L977-A979 PolarHBondContact O-N 3.38Å; A979-I981 PolarHBondContact O-N 3.43Å; A979-K982 WeakPolarHBondContact O-CA 3.49Å; A979-K982 PolarHBondContact O-N 3.25Å; A979-T983 PolarHBondContact O-N 3.22Å; A979-T983 PolarHBondContact O-OG1 2.89Å; A979-T983 VanDerWaalsContact O-OG1 3.08Å
980L92.1Very high90.7Very high16 Ų1653.9 Ų53.98%0.08428%0.275CS..Hα-helixtrans-55-47.3179.5-73.1167.4000112T940 L952 C976 L977 K982 T983 E984 T993T940-L980 HydrophobicContact CG2-CD1 4.26Å; L952-L980 HydrophobicContact CD1-CD1 4.45Å; L952-L980 HydrophobicContact CD2-CD1 3.94Å; C976-L980 WeakPolarHBondContact O-CG 3.47Å; C976-L980 PolarHBondContact O-N 3.46Å; L977-L980 PolarHBondContact O-N 3.47Å; L980-K982 PolarHBondContact O-N 3.02Å; L980-T983 PolarHBondContact O-N 3.23Å; L980-E984 WeakPolarHBondContact O-CB 3.31Å; L980-E984 PolarHBondContact O-N 3.46Å; L980-T993 HydrophobicContact CB-CG2 3.77Å; L980-T993 HydrophobicContact CD1-CG2 4.33Å
981I92.1Very high91Very high14 Ų1457.8 Ų57.87%0.07229%0.288CS..Hα-helixtrans-52.6-31.2174.6-79167000113.1L977 A979 T993 V994 I997 A1022 V1026L977-I981 WeakPolarHBondContact O-CG1 3.39Å; L977-I981 PolarHBondContact O-N 2.95Å; A979-I981 PolarHBondContact O-N 3.43Å; I981-T993 HydrophobicContact CD1-CG2 4.25Å; I981-T993 HydrophobicContact CG1-CG2 3.82Å; I981-V994 HydrophobicContact CD1-CG2 4.18Å; I981-V994 HydrophobicContact CG1-CG2 4.23Å; I981-I997 HydrophobicContact CD1-CD1 3.66Å; I981-A1022 HydrophobicContact CD1-CB 4.03Å; I981-V1026 HydrophobicContact CD1-CG2 4.22Å; I981-V1026 HydrophobicContact CG1-CG2 4.19Å; I981-V1026 HydrophobicContact CG2-CG2 3.61Å
982K88Confident91.2Very high134 Ų13453.9 Ų53.958%0.58327%0.273SS*.Hα-helixtrans-97.4-25.3-175.1-66.2172.5-173.41720114.3T978 A979 L980 L1025T978-K982 HydrophobicContact CG2-CD 4.43Å; T978-K982 WeakPolarHBondContact O-CD 3.31Å; T978-K982 WeakPolarHBondContact O-CG 3.39Å; A979-K982 WeakPolarHBondContact O-CA 3.49Å; A979-K982 PolarHBondContact O-N 3.25Å; L980-K982 PolarHBondContact O-N 3.02Å; K982-L1025 HydrophobicContact CG-CD2 4.06Å
983T89.1Confident91.5Very high104 Ų10448.1 Ų48.164%0.63825%0.246SC*.Hα-helixtrans-109.9-16.5-173.860.40000114.1A979 L980A979-T983 PolarHBondContact O-N 3.22Å; A979-T983 PolarHBondContact O-OG1 2.89Å; A979-T983 VanDerWaalsContact O-OG1 3.08Å; L980-T983 PolarHBondContact O-N 3.23Å
984E91.7Very high91.7Very high24 Ų2448 Ų4811%0.11225%0.245CC..  trans-83.3129.3-168.8-171.154.6-122.700113.7R948 L980 E986 V989 R990R948-E984 IonicContact CZ-OE1 2.86Å; R948-E984 IonicContact CZ-OE2 3.24Å; R948-E984 IonicContact NH1-OE1 3.55Å; R948-E984 PolarHBondContact NH1-OE1 3.36Å; R948-E984 IonicContact NH1-OE2 2.76Å; R948-E984 PolarHBondContact NH1-OE2 2.95Å; R948-E984 IonicContact NH2-OE1 3.17Å; R948-E984 PolarHBondContact NH2-OE1 2.94Å; R948-E984 IonicContact NH2-OE2 3.88Å; L980-E984 WeakPolarHBondContact O-CB 3.31Å; L980-E984 PolarHBondContact O-N 3.46Å; E984-E986 PolarHBondContact OE1-N 2.81Å; E984-V989 HydrophobicContact CG-CB 3.67Å; E984-V989 HydrophobicContact CG-CG1 3.67Å; E984-R990 HydrophobicContact CB-CG 3.83Å; E984-R990 HydrophobicContact CG-CG 4.06Å; E984-R990 WeakPolarHBondContact O-CD 3.42Å; E984-R990 PolarHBondContact O-NH1 3.39Å
985R87.4Confident91.7Very high213 Ų21350.8 Ų50.880%0.80426%0.257SS*.  trans-85.4-37.8-178.6-65.5-178.4-179.5176-0.1112.1R990R985-R990 VanDerWaalsContact C-NH1 3.33Å; R985-R990 PolarHBondContact O-NH1 3.37Å
986E91.8Very high91.8Very high75 Ų7547.3 Ų47.335%0.3523%0.233SC..  trans-81125.1-172.2-50.1-41.6134.400112.1Q945 E984 E988 V989 R990Q945-E986 HydrophobicContact CB-CG 4.25Å; E984-E986 PolarHBondContact OE1-N 2.81Å; E986-E988 VanDerWaalsContact C-N 3.3Å; E986-E988 PolarHBondContact O-N 2.87Å; E986-V989 HydrophobicContact CB-CG2 4.17Å; E986-V989 PolarHBondContact O-N 2.92Å; E986-R990 PolarHBondContact O-N 2.98Å; E986-R990 VanDerWaalsContact O-N 3.14Å
987A89.7Confident91.8Very high31 Ų3146.2 Ų46.226%0.25623%0.226SC..Hα-helixtrans-60.3-38.9-175.700000112.3V989 R990 R991 D1032A987-V989 VanDerWaalsContact C-N 3.31Å; A987-V989 PolarHBondContact O-N 2.79Å; A987-R990 PolarHBondContact O-N 2.87Å; A987-R991 WeakPolarHBondContact O-CB 3.46Å; A987-R991 VanDerWaalsContact O-CG 3.25Å; A987-R991 WeakPolarHBondContact O-CG 3.39Å; A987-R991 PolarHBondContact O-N 3.22Å; A987-D1032 HydrophobicContact CB-CB 4.21Å
988E89.8Confident91.7Very high93 Ų9346.9 Ų46.944%0.43523%0.231SC..Hα-helixtrans-58.2-42.2177.7-60.3-178.5151.500112.3Q945 E986 A992Q945-E988 PolarHBondContact NE2-OE2 2.7Å; E986-E988 VanDerWaalsContact C-N 3.3Å; E986-E988 PolarHBondContact O-N 2.87Å; E988-A992 WeakPolarHBondContact O-CB 3.48Å; E988-A992 PolarHBondContact O-N 3.21Å
989V92.8Very high91.6Very high0 Ų047.8 Ų47.80%023%0.234CC..Hα-helixtrans-73-35.6-179.9-175.10000110.5Q945 R948 A949 L952 E984 E986 A987 T993Q945-V989 HydrophobicContact CB-CG2 4.27Å; R948-V989 HydrophobicContact CB-CG1 4.17Å; R948-V989 HydrophobicContact CB-CG2 4.07Å; A949-V989 HydrophobicContact CB-CG2 4.42Å; L952-V989 HydrophobicContact CD1-CG1 3.63Å; L952-V989 WeakPolarHBondContact CD1-O 3.46Å; E984-V989 HydrophobicContact CG-CB 3.67Å; E984-V989 HydrophobicContact CG-CG1 3.67Å; E986-V989 HydrophobicContact CB-CG2 4.17Å; E986-V989 PolarHBondContact O-N 2.92Å; A987-V989 VanDerWaalsContact C-N 3.31Å; A987-V989 PolarHBondContact O-N 2.79Å; V989-T993 WeakPolarHBondContact O-CB 3.33Å; V989-T993 PolarHBondContact O-N 3.48Å; V989-T993 PolarHBondContact O-OG1 3.19Å
990R93.4Very high91.5Very high23 Ų2345.8 Ų45.89%0.08722%0.217CC..Hα-helixtrans-66.9-47.9171.1-68.4-158.9-51.5-73.7-7.8112.7E984 R985 E986 A987 A992 T993 V994 D1030E984-R990 HydrophobicContact CB-CG 3.83Å; E984-R990 HydrophobicContact CG-CG 4.06Å; E984-R990 WeakPolarHBondContact O-CD 3.42Å; E984-R990 PolarHBondContact O-NH1 3.39Å; R985-R990 VanDerWaalsContact C-NH1 3.33Å; R985-R990 PolarHBondContact O-NH1 3.37Å; E986-R990 PolarHBondContact O-N 2.98Å; E986-R990 VanDerWaalsContact O-N 3.14Å; A987-R990 PolarHBondContact O-N 2.87Å; R990-A992 VanDerWaalsContact C-N 3.27Å; R990-A992 PolarHBondContact O-N 3.08Å; R990-T993 WeakPolarHBondContact O-CB 3.3Å; R990-T993 PolarHBondContact O-N 3.04Å; R990-T993 VanDerWaalsContact O-N 3.09Å; R990-V994 WeakPolarHBondContact O-CG2 3.46Å; R990-V994 PolarHBondContact O-N 3.42Å; R990-D1030 WeakPolarHBondContact CD-OD2 3.26Å; R990-D1030 IonicContact CZ-OD1 3.68Å; R990-D1030 IonicContact CZ-OD2 2.66Å; R990-D1030 VanDerWaalsContact NE-CG 3.33Å; R990-D1030 IonicContact NE-OD1 3.1Å; R990-D1030 PolarHBondContact NE-OD1 3.24Å; R990-D1030 IonicContact NE-OD2 3.52Å; R990-D1030 PolarHBondContact NE-OD2 3.04Å; R990-D1030 IonicContact NH2-OD1 3.33Å; R990-D1030 PolarHBondContact NH2-OD1 3.32Å; R990-D1030 IonicContact NH2-OD2 3.58Å
991R92.8Very high91.5Very high90 Ų9045 Ų4534%0.3421%0.213SC..Hα-helixtrans-51.3-46.6173.7-72169.4-171.2171.80.3111.5A987 H995 D1032 A1034 A1035 H1038A987-R991 WeakPolarHBondContact O-CB 3.46Å; A987-R991 VanDerWaalsContact O-CG 3.25Å; A987-R991 WeakPolarHBondContact O-CG 3.39Å; A987-R991 PolarHBondContact O-N 3.22Å; R991-H995 WeakPolarHBondContact O-CB 3.32Å; R991-H995 PolarHBondContact O-N 3.33Å; R991-D1032 WeakPolarHBondContact CG-OD2 3.37Å; R991-D1032 IonicContact CZ-OD1 3.63Å; R991-D1032 IonicContact CZ-OD2 2.71Å; R991-D1032 VanDerWaalsContact NE-CG 3.3Å; R991-D1032 IonicContact NE-OD1 3.67Å; R991-D1032 PolarHBondContact NE-OD1 3.39Å; R991-D1032 IonicContact NE-OD2 3.69Å; R991-D1032 PolarHBondContact NE-OD2 3.4Å; R991-D1032 IonicContact NH2-OD1 3.55Å; R991-D1032 PolarHBondContact NH2-OD1 2.89Å; R991-D1032 IonicContact NH2-OD2 3.11Å; R991-A1034 HydrophobicContact CG-CB 4.15Å; R991-A1035 HydrophobicContact CG-CB 4.19Å; R991-H1038 PolarHBondContact O-ND1 2.94Å; R991-H1038 VanDerWaalsContact O-ND1 3.12Å
992A92.7Very high91.3Very high17 Ų1751.8 Ų51.814%0.1424%0.238CC..Hα-helixtrans-67.2-43.2177.500000112.1L952 E988 R990 V994 H995 V996L952-A992 HydrophobicContact CB-CB 3.76Å; L952-A992 HydrophobicContact CD1-CB 4.02Å; E988-A992 WeakPolarHBondContact O-CB 3.48Å; E988-A992 PolarHBondContact O-N 3.21Å; R990-A992 VanDerWaalsContact C-N 3.27Å; R990-A992 PolarHBondContact O-N 3.08Å; A992-V994 VanDerWaalsContact C-N 3.34Å; A992-V994 PolarHBondContact O-N 3.05Å; A992-H995 WeakPolarHBondContact O-CB 3.44Å; A992-H995 PolarHBondContact O-N 3.32Å; A992-H995 VanDerWaalsContact O-N 3.15Å; A992-V996 WeakPolarHBondContact O-CG2 3.44Å; A992-V996 PolarHBondContact O-N 3.41Å
993T94.4Very high91.3Very high0 Ų046.4 Ų46.40%022%0.22CC..Hα-helixtrans-58.3-44.9177.6-58.10000111.7L952 L977 L980 I981 V989 R990 V996L952-T993 VanDerWaalsContact CD1-OG1 3.29Å; L952-T993 WeakPolarHBondContact CD1-OG1 3.5Å; L977-T993 HydrophobicContact CB-CG2 4.02Å; L977-T993 HydrophobicContact CD2-CG2 3.75Å; L977-T993 WeakPolarHBondContact O-CG2 3.49Å; L980-T993 HydrophobicContact CB-CG2 3.77Å; L980-T993 HydrophobicContact CD1-CG2 4.33Å; I981-T993 HydrophobicContact CD1-CG2 4.25Å; I981-T993 HydrophobicContact CG1-CG2 3.82Å; V989-T993 WeakPolarHBondContact O-CB 3.33Å; V989-T993 PolarHBondContact O-N 3.48Å; V989-T993 PolarHBondContact O-OG1 3.19Å; R990-T993 WeakPolarHBondContact O-CB 3.3Å; R990-T993 PolarHBondContact O-N 3.04Å; R990-T993 VanDerWaalsContact O-N 3.09Å; T993-V996 PolarHBondContact O-N 2.84Å
994V94Very high91.2Very high0 Ų041.6 Ų41.60%019%0.19CC..Hα-helixtrans-68-38.5176.9179.50000111.1I981 R990 A992 V996 I997 A998 L1023 V1026 H1038 A1039I981-V994 HydrophobicContact CD1-CG2 4.18Å; I981-V994 HydrophobicContact CG1-CG2 4.23Å; R990-V994 WeakPolarHBondContact O-CG2 3.46Å; R990-V994 PolarHBondContact O-N 3.42Å; A992-V994 VanDerWaalsContact C-N 3.34Å; A992-V994 PolarHBondContact O-N 3.05Å; V994-V996 VanDerWaalsContact C-N 3.29Å; V994-V996 PolarHBondContact O-N 3.16Å; V994-I997 WeakPolarHBondContact O-CB 3.36Å; V994-I997 PolarHBondContact O-N 2.92Å; V994-A998 PolarHBondContact O-N 3.28Å; V994-A998 VanDerWaalsContact O-N 3.1Å; V994-L1023 HydrophobicContact CG1-CD2 4.02Å; V994-V1026 HydrophobicContact CG2-CG1 4.19Å; V994-V1026 HydrophobicContact CG2-CG2 3.94Å; V994-H1038 HydrophobicContact CB-CB 4.19Å; V994-H1038 HydrophobicContact CG1-CB 3.62Å; V994-A1039 HydrophobicContact CG1-CB 3.73Å
995H91.3Very high91Very high68 Ų6842.4 Ų42.432%0.31520%0.199SC..Hα-helixtrans-61.5-34.6175.1-166.987.7000112.7R991 A992 I997 A998 Q999 H1038R991-H995 WeakPolarHBondContact O-CB 3.32Å; R991-H995 PolarHBondContact O-N 3.33Å; A992-H995 WeakPolarHBondContact O-CB 3.44Å; A992-H995 PolarHBondContact O-N 3.32Å; A992-H995 VanDerWaalsContact O-N 3.15Å; H995-I997 VanDerWaalsContact C-N 3.31Å; H995-I997 PolarHBondContact O-N 3.05Å; H995-A998 PolarHBondContact O-N 2.86Å; H995-Q999 PolarHBondContact NE2-NE2 3.29Å; H995-Q999 WeakPolarHBondContact O-CG 3.41Å; H995-Q999 PolarHBondContact O-N 3.17Å; H995-H1038 AromaticContact ND1-CE1 3.9Å
996V93.4Very high90.9Very high1 Ų136.3 Ų36.31%0.00618%0.182CC..Hα-helixtrans-59.2-42.9171.6178.80000110.9L952 L955 L977 A992 T993 V994 A998 Q999 L1000L952-V996 HydrophobicContact CB-CG2 4.21Å; L952-V996 HydrophobicContact CD2-CG2 4.22Å; L952-V996 WeakPolarHBondContact O-CG2 3.3Å; L955-V996 HydrophobicContact CB-CG2 4.45Å; L955-V996 HydrophobicContact CD2-CG1 4.32Å; L955-V996 HydrophobicContact CG-CG1 4.37Å; L977-V996 HydrophobicContact CD1-CB 4.26Å; L977-V996 HydrophobicContact CD1-CG1 3.71Å; L977-V996 HydrophobicContact CD2-CB 3.92Å; L977-V996 HydrophobicContact CD2-CG1 3.93Å; L977-V996 HydrophobicContact CD2-CG2 4.33Å; L977-V996 HydrophobicContact CG-CG1 4.48Å; A992-V996 WeakPolarHBondContact O-CG2 3.44Å; A992-V996 PolarHBondContact O-N 3.41Å; T993-V996 PolarHBondContact O-N 2.84Å; V994-V996 VanDerWaalsContact C-N 3.29Å; V994-V996 PolarHBondContact O-N 3.16Å; V996-A998 PolarHBondContact O-N 3.09Å; V996-Q999 PolarHBondContact O-N 2.91Å; V996-L1000 VanDerWaalsContact O-CB 3.27Å; V996-L1000 WeakPolarHBondContact O-CB 3.46Å; V996-L1000 PolarHBondContact O-N 3.47Å
997I93.1Very high90.7Very high0 Ų035.9 Ų35.90%018%0.179CC..Hα-helixtrans-64.8-40.5178.6-55.6174.8000110.7L977 I981 V994 H995 L1000 L1001 L1019 L1023L977-I997 HydrophobicContact CB-CD1 4.41Å; L977-I997 HydrophobicContact CB-CG1 4.4Å; L977-I997 HydrophobicContact CD1-CG1 3.93Å; I981-I997 HydrophobicContact CD1-CD1 3.66Å; V994-I997 WeakPolarHBondContact O-CB 3.36Å; V994-I997 PolarHBondContact O-N 2.92Å; H995-I997 VanDerWaalsContact C-N 3.31Å; H995-I997 PolarHBondContact O-N 3.05Å; I997-L1000 WeakPolarHBondContact O-CB 3.29Å; I997-L1000 PolarHBondContact O-N 2.95Å; I997-L1001 HydrophobicContact CG2-CD1 4.09Å; I997-L1001 WeakPolarHBondContact O-CG 3.43Å; I997-L1001 PolarHBondContact O-N 2.84Å; I997-L1001 VanDerWaalsContact O-N 3.13Å; I997-L1019 HydrophobicContact CD1-CD2 4.12Å; I997-L1019 HydrophobicContact CG1-CD2 4.29Å; I997-L1019 HydrophobicContact CG2-CD2 4.49Å; I997-L1023 HydrophobicContact CB-CD2 4.27Å; I997-L1023 HydrophobicContact CD1-CD2 4.1Å; I997-L1023 HydrophobicContact CG2-CD1 3.93Å; I997-L1023 HydrophobicContact CG2-CD2 4.04Å; I997-L1023 HydrophobicContact CG2-CG 4.17Å
998A91.2Very high90.7Very high16 Ų1634.4 Ų34.413%0.13217%0.167CC..Hα-helixtrans-60.1-49.3174.700000112.1V994 H995 V996 L1000 L1001 R1002 A1042V994-A998 PolarHBondContact O-N 3.28Å; V994-A998 VanDerWaalsContact O-N 3.1Å; H995-A998 PolarHBondContact O-N 2.86Å; V996-A998 PolarHBondContact O-N 3.09Å; A998-L1000 VanDerWaalsContact C-N 3.32Å; A998-L1000 PolarHBondContact O-N 3.41Å; A998-L1001 PolarHBondContact O-N 2.91Å; A998-R1002 WeakPolarHBondContact O-CB 3.44Å; A998-R1002 PolarHBondContact O-N 3.44Å; A998-A1042 HydrophobicContact CB-CB 3.98Å
999Q90.8Very high90.5Very high37 Ų3731.1 Ų31.117%0.17315%0.153CC..Hα-helixtrans-66.5-32.3178.6-64-66.33.200112.8H995 V996 G1003H995-Q999 PolarHBondContact NE2-NE2 3.29Å; H995-Q999 WeakPolarHBondContact O-CG 3.41Å; H995-Q999 PolarHBondContact O-N 3.17Å; V996-Q999 PolarHBondContact O-N 2.91Å; Q999-G1003 PolarHBondContact O-N 2.76Å
1000L90.1Very high90.3Very high5 Ų537 Ų373%0.02618%0.181CC..Hα-helixtrans-61.1-49.8175.3-163.573.8000111.4C959 L966 V996 I997 A998 L1004 L1012 L1019C959-L1000 HydrophobicContact CB-CD1 3.63Å; L966-L1000 HydrophobicContact CD1-CD1 4.08Å; L966-L1000 HydrophobicContact CD2-CD1 3.6Å; L966-L1000 HydrophobicContact CD2-CG 4.35Å; L966-L1000 HydrophobicContact CG-CD1 4.49Å; V996-L1000 VanDerWaalsContact O-CB 3.27Å; V996-L1000 WeakPolarHBondContact O-CB 3.46Å; V996-L1000 PolarHBondContact O-N 3.47Å; I997-L1000 WeakPolarHBondContact O-CB 3.29Å; I997-L1000 PolarHBondContact O-N 2.95Å; A998-L1000 VanDerWaalsContact C-N 3.32Å; A998-L1000 PolarHBondContact O-N 3.41Å; L1000-L1004 HydrophobicContact CG-CD1 4.45Å; L1000-L1004 WeakPolarHBondContact O-CB 3.27Å; L1000-L1004 WeakPolarHBondContact O-CG 3.39Å; L1000-L1004 PolarHBondContact O-N 2.7Å; L1000-L1004 VanDerWaalsContact O-N 3.13Å; L1000-L1012 HydrophobicContact CD2-CD1 3.69Å; L1000-L1012 HydrophobicContact CD2-CD2 4.3Å; L1000-L1012 HydrophobicContact CG-CD1 4.07Å; L1000-L1019 HydrophobicContact CD2-CD1 4.18Å
1001L91.1Very high89.9Confident1 Ų136.5 Ų36.51%0.00518%0.18CC..Hα-helixtrans-66.9-46.4179.6-67.2167000111.1I997 A998 G1003 L1004 S1005 T1008 L1012 L1016 L1023 A1042 E1045 L1046I997-L1001 HydrophobicContact CG2-CD1 4.09Å; I997-L1001 WeakPolarHBondContact O-CG 3.43Å; I997-L1001 PolarHBondContact O-N 2.84Å; I997-L1001 VanDerWaalsContact O-N 3.13Å; A998-L1001 PolarHBondContact O-N 2.91Å; L1001-G1003 PolarHBondContact O-N 3Å; L1001-L1004 PolarHBondContact O-N 2.68Å; L1001-S1005 PolarHBondContact O-N 3.1Å; L1001-T1008 HydrophobicContact CD2-CG2 3.72Å; L1001-L1012 HydrophobicContact CD2-CD1 4.49Å; L1001-L1016 HydrophobicContact CD2-CD1 4.04Å; L1001-L1023 HydrophobicContact CD1-CD1 4.46Å; L1001-A1042 HydrophobicContact CD1-CB 4.4Å; L1001-A1042 VanDerWaalsContact CD1-O 3.24Å; L1001-A1042 WeakPolarHBondContact CD1-O 3.45Å; L1001-E1045 HydrophobicContact CB-CB 4.48Å; L1001-L1046 HydrophobicContact CD1-CB 4.11Å; L1001-L1046 HydrophobicContact CD2-CD1 4.06Å
1002R89.4Confident89.7Confident156 Ų15632.3 Ų32.359%0.58917%0.165SC*.Hα-helixtrans-66.2-35-179.6-169.4175.4-177162.12.3113.3A998 E1045A998-R1002 WeakPolarHBondContact O-CB 3.44Å; A998-R1002 PolarHBondContact O-N 3.44Å; R1002-E1045 VanDerWaalsContact CD-OE1 3.25Å; R1002-E1045 WeakPolarHBondContact CD-OE1 3.21Å; R1002-E1045 WeakPolarHBondContact CG-OE1 3.49Å; R1002-E1045 IonicContact CZ-OE1 2.75Å; R1002-E1045 IonicContact NE-OE1 3.4Å
1003G86.9Confident89.5Confident21 Ų2134.9 Ų34.922%0.21618%0.182CC..Hα-helixtrans-72.4-43.4176.200000113.3Q999 L1001Q999-G1003 PolarHBondContact O-N 2.76Å; L1001-G1003 PolarHBondContact O-N 3Å
1004L87.9Confident89.2Confident2 Ų240.9 Ų40.91%0.0121%0.214CC..Hα-helixtrans-73.7-33.8178-69174.4000112.7L966 L1000 L1001 D1006 K1007 T1008 V1011 L1012L966-L1004 HydrophobicContact CD2-CD1 3.89Å; L966-L1004 HydrophobicContact CD2-CD2 4.5Å; L1000-L1004 HydrophobicContact CG-CD1 4.45Å; L1000-L1004 WeakPolarHBondContact O-CB 3.27Å; L1000-L1004 WeakPolarHBondContact O-CG 3.39Å; L1000-L1004 PolarHBondContact O-N 2.7Å; L1000-L1004 VanDerWaalsContact O-N 3.13Å; L1001-L1004 PolarHBondContact O-N 2.68Å; L1004-D1006 PolarHBondContact O-N 2.97Å; L1004-K1007 VanDerWaalsContact O-CB 3.22Å; L1004-K1007 WeakPolarHBondContact O-CB 3.48Å; L1004-K1007 WeakPolarHBondContact O-CG 3.31Å; L1004-K1007 PolarHBondContact O-N 2.97Å; L1004-T1008 WeakPolarHBondContact CB-OG1 3.42Å; L1004-V1011 HydrophobicContact CD1-CB 4.17Å; L1004-V1011 HydrophobicContact CD1-CG1 4.08Å; L1004-V1011 HydrophobicContact CD2-CB 4.15Å; L1004-V1011 HydrophobicContact CD2-CG1 3.99Å; L1004-V1011 HydrophobicContact CD2-CG2 4.2Å; L1004-L1012 HydrophobicContact CD1-CD1 3.69Å; L1004-L1012 HydrophobicContact CD1-CD2 4.1Å; L1004-L1012 HydrophobicContact CD1-CG 3.6Å
1005S88.2Confident89.1Confident41 Ų4141 Ų4129%0.28722%0.215SC..G310 helixtrans50.8-128.9178.3-176.50000110.5L1001 K1007 T1008 V1049L1001-S1005 PolarHBondContact O-N 3.1Å; S1005-K1007 PolarHBondContact O-N 3Å; S1005-T1008 WeakPolarHBondContact O-CB 3.46Å; S1005-T1008 PolarHBondContact O-N 2.86Å; S1005-T1008 PolarHBondContact O-OG1 3.06Å; S1005-V1049 WeakPolarHBondContact O-CG1 3.49Å
1006D84.9Confident89.1Confident85 Ų8538.9 Ų38.946%0.45521%0.205SC..G310 helixtrans-59.4-15.6179.2-46.6-47.7000114.1L1004 R1052L1004-D1006 PolarHBondContact O-N 2.97Å; D1006-R1052 WeakPolarHBondContact OD1-CD 3.21Å; D1006-R1052 IonicContact OD1-CZ 2.71Å; D1006-R1052 IonicContact OD1-NE 3.55Å; D1006-R1052 IonicContact OD1-NH1 2.63Å; D1006-R1052 PolarHBondContact OD1-NH1 3.3Å; D1006-R1052 IonicContact OD2-NH1 3.43Å
1007K86.9Confident89Confident66 Ų6643.7 Ų43.729%0.28723%0.23SC..G310 helixtrans-80.4-14.2175.4-51.6169-168.1165.60112.9D963 Y964 L1004 S1005 T1009 Q1010 V1011D963-K1007 VanDerWaalsContact OD1-CD 3.28Å; D963-K1007 WeakPolarHBondContact OD1-CD 3.42Å; D963-K1007 IonicContact OD1-NZ 2.81Å; D963-K1007 PolarHBondContact OD1-NZ 3.25Å; D963-K1007 IonicContact OD2-NZ 3.4Å; D963-K1007 PolarHBondContact OD2-NZ 3.01Å; Y964-K1007 HydrophobicContact CD2-CD 4.47Å; Y964-K1007 HydrophobicContact CE2-CD 3.88Å; Y964-K1007 HydrophobicContact CE2-CG 4.36Å; L1004-K1007 VanDerWaalsContact O-CB 3.22Å; L1004-K1007 WeakPolarHBondContact O-CB 3.48Å; L1004-K1007 WeakPolarHBondContact O-CG 3.31Å; L1004-K1007 PolarHBondContact O-N 2.97Å; S1005-K1007 PolarHBondContact O-N 3Å; K1007-T1009 VanDerWaalsContact C-N 3.28Å; K1007-T1009 PolarHBondContact O-N 3.47Å; K1007-Q1010 WeakPolarHBondContact O-CB 3.21Å; K1007-Q1010 PolarHBondContact O-N 3.12Å; K1007-V1011 HydrophobicContact CB-CG2 4.3Å; K1007-V1011 PolarHBondContact O-N 3.48Å
1008T88.9Confident88.8Confident0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-52-43.2-176-64.20000112.9L1001 L1004 S1005 Q1010 V1011 L1012 L1016 V1049L1001-T1008 HydrophobicContact CD2-CG2 3.72Å; L1004-T1008 WeakPolarHBondContact CB-OG1 3.42Å; S1005-T1008 WeakPolarHBondContact O-CB 3.46Å; S1005-T1008 PolarHBondContact O-N 2.86Å; S1005-T1008 PolarHBondContact O-OG1 3.06Å; T1008-Q1010 PolarHBondContact O-N 3.26Å; T1008-V1011 PolarHBondContact O-N 3.4Å; T1008-L1012 HydrophobicContact CG2-CD1 4.29Å; T1008-L1012 WeakPolarHBondContact O-CB 3.3Å; T1008-L1012 PolarHBondContact O-N 3.16Å; T1008-L1016 HydrophobicContact CG2-CD1 3.62Å; T1008-L1016 HydrophobicContact CG2-CD2 4.49Å; T1008-V1049 HydrophobicContact CG2-CG1 4.36Å
1009T86.9Confident88.9Confident25 Ų2546.6 Ų46.615%0.15324%0.243CC..Hα-helixtrans-66.7-19.9179.649.80000113.7K1007 M1050 F1053K1007-T1009 VanDerWaalsContact C-N 3.28Å; K1007-T1009 PolarHBondContact O-N 3.47Å; T1009-M1050 HydrophobicContact CG2-CE 3.44Å; T1009-M1050 VanDerWaalsContact CG2-CE 3.44Å; T1009-M1050 HydrophobicContact CG2-SD 4.5Å; T1009-F1053 HydrophobicContact CG2-CB 4.16Å; T1009-F1053 HydrophobicContact CG2-CD1 4.13Å; T1009-F1053 HydrophobicContact CG2-CD2 3.88Å; T1009-F1053 HydrophobicContact CG2-CE2 4.28Å; T1009-F1053 HydrophobicContact CG2-CG 3.79Å
1010Q87.3Confident89.1Confident124 Ų12449.7 Ų49.758%0.57925%0.254SS*.Hα-helixtrans-97.3-32.5-179.8-52.5-18031.300112.2Y964 K1007 T1008Y964-Q1010 HydrophobicContact CE1-CB 4.42Å; Y964-Q1010 PolarHBondContact OH-OE1 2.96Å; K1007-Q1010 WeakPolarHBondContact O-CB 3.21Å; K1007-Q1010 PolarHBondContact O-N 3.12Å; T1008-Q1010 PolarHBondContact O-N 3.26Å
1011V86.8Confident89.2Confident12 Ų1256.2 Ų56.27%0.07328%0.279CS..Hα-helixtrans-95.6-29.8-174.6179.90000112.6Y964 L966 L1004 K1007 T1008Y964-V1011 HydrophobicContact CD1-CG2 3.58Å; Y964-V1011 HydrophobicContact CE1-CG2 3.97Å; Y964-V1011 HydrophobicContact CG-CG2 4.3Å; L966-V1011 HydrophobicContact CB-CG1 4.11Å; L966-V1011 HydrophobicContact CD2-CG1 4.03Å; L1004-V1011 HydrophobicContact CD1-CB 4.17Å; L1004-V1011 HydrophobicContact CD1-CG1 4.08Å; L1004-V1011 HydrophobicContact CD2-CB 4.15Å; L1004-V1011 HydrophobicContact CD2-CG1 3.99Å; L1004-V1011 HydrophobicContact CD2-CG2 4.2Å; K1007-V1011 HydrophobicContact CB-CG2 4.3Å; K1007-V1011 PolarHBondContact O-N 3.48Å; T1008-V1011 PolarHBondContact O-N 3.4Å
1012L88.1Confident89.3Confident2 Ų256.2 Ų56.21%0.0128%0.279CS..SBendtrans-114.112.8-177.2-59.8-173.4000113.9L966 A970 L1000 L1001 L1004 T1008 D1014 V1015 L1016 L1019L966-L1012 HydrophobicContact CD2-CD2 3.88Å; A970-L1012 HydrophobicContact CB-CD2 3.75Å; L1000-L1012 HydrophobicContact CD2-CD1 3.69Å; L1000-L1012 HydrophobicContact CD2-CD2 4.3Å; L1000-L1012 HydrophobicContact CG-CD1 4.07Å; L1001-L1012 HydrophobicContact CD2-CD1 4.49Å; L1004-L1012 HydrophobicContact CD1-CD1 3.69Å; L1004-L1012 HydrophobicContact CD1-CD2 4.1Å; L1004-L1012 HydrophobicContact CD1-CG 3.6Å; T1008-L1012 HydrophobicContact CG2-CD1 4.29Å; T1008-L1012 WeakPolarHBondContact O-CB 3.3Å; T1008-L1012 PolarHBondContact O-N 3.16Å; L1012-D1014 PolarHBondContact O-N 3.35Å; L1012-V1015 HydrophobicContact CB-CG2 3.79Å; L1012-V1015 HydrophobicContact CD2-CG2 3.86Å; L1012-V1015 HydrophobicContact CG-CG2 4.33Å; L1012-V1015 WeakPolarHBondContact O-CG2 3.14Å; L1012-V1015 PolarHBondContact O-N 3.05Å; L1012-L1016 HydrophobicContact CB-CD1 4.25Å; L1012-L1016 HydrophobicContact CD1-CD1 4.5Å; L1012-L1016 WeakPolarHBondContact O-CB 3.47Å; L1012-L1016 PolarHBondContact O-N 3.23Å; L1012-L1019 HydrophobicContact CD1-CD1 4.1Å
1013S87.7Confident89.6Confident71 Ų7148.9 Ų48.950%0.49725%0.251SS..THydrogen-bonded Turntrans-42.1-45.4-175.953.40000113.8V1015S1013-V1015 PolarHBondContact O-N 3.37Å
1014D87.8Confident90Very high126 Ų12651.5 Ų51.567%0.67426%0.257SS*.THydrogen-bonded Turntrans-88.4-2.9-169.6-55.62.3000113.1Q971 L1012Q971-D1014 PolarHBondContact NE2-O 3.01Å; Q971-D1014 VanDerWaalsContact NE2-O 3.08Å; L1012-D1014 PolarHBondContact O-N 3.35Å
1015V92Very high90.2Very high3 Ų354.8 Ų54.82%0.01827%0.274CS..THydrogen-bonded Turntrans-128.1-16.3-178.7-63.10000114.3A970 Q971 L1012 S1013 L1017 D1018 L1019A970-V1015 HydrophobicContact CB-CG2 4.29Å; Q971-V1015 HydrophobicContact CG-CG1 4.04Å; L1012-V1015 HydrophobicContact CB-CG2 3.79Å; L1012-V1015 HydrophobicContact CD2-CG2 3.86Å; L1012-V1015 HydrophobicContact CG-CG2 4.33Å; L1012-V1015 WeakPolarHBondContact O-CG2 3.14Å; L1012-V1015 PolarHBondContact O-N 3.05Å; S1013-V1015 PolarHBondContact O-N 3.37Å; V1015-L1017 PolarHBondContact O-N 3.04Å; V1015-D1018 PolarHBondContact O-N 2.83Å; V1015-L1019 HydrophobicContact CG2-CD1 4.1Å; V1015-L1019 PolarHBondContact O-N 3.14Å
1016L91.7Very high90.5Very high23 Ų2353 Ų5312%0.1226%0.261CS..Hα-helixtrans-56.9-38.1-171-163.566.9000112.9L1001 T1008 L1012 D1018 Y1020 L1046 M1050L1001-L1016 HydrophobicContact CD2-CD1 4.04Å; T1008-L1016 HydrophobicContact CG2-CD1 3.62Å; T1008-L1016 HydrophobicContact CG2-CD2 4.49Å; L1012-L1016 HydrophobicContact CB-CD1 4.25Å; L1012-L1016 HydrophobicContact CD1-CD1 4.5Å; L1012-L1016 WeakPolarHBondContact O-CB 3.47Å; L1012-L1016 PolarHBondContact O-N 3.23Å; L1016-D1018 PolarHBondContact O-N 3.49Å; L1016-Y1020 WeakPolarHBondContact O-CB 3.32Å; L1016-Y1020 PolarHBondContact O-N 2.8Å; L1016-L1046 HydrophobicContact CD1-CD1 3.73Å; L1016-L1046 HydrophobicContact CD2-CD1 4.14Å; L1016-L1046 HydrophobicContact CG-CD1 4.07Å; L1016-M1050 HydrophobicContact CD2-CE 3.79Å; L1016-M1050 HydrophobicContact CD2-SD 4.05Å
1017L90.7Very high90.9Very high101 Ų10151 Ų5153%0.52925%0.252SS..Hα-helixtrans-64.9-37.3178.4179.558.9000112.6V1015 R1021V1015-L1017 PolarHBondContact O-N 3.04Å; L1017-R1021 WeakPolarHBondContact O-CB 3.37Å; L1017-R1021 WeakPolarHBondContact O-CD 3.42Å; L1017-R1021 WeakPolarHBondContact O-CG 3.27Å; L1017-R1021 PolarHBondContact O-N 3.37Å
1018D90.5Very high91.2Very high74 Ų7458.1 Ų58.140%0.39628%0.277SS..Hα-helixtrans-82.1-32.1-179.2-71.4-34.7000112.3V1015 L1016 R1021 A1022V1015-D1018 PolarHBondContact O-N 2.83Å; L1016-D1018 PolarHBondContact O-N 3.49Å; D1018-R1021 PolarHBondContact O-N 3.29Å; D1018-R1021 VanDerWaalsContact OD1-CD 3.28Å; D1018-R1021 WeakPolarHBondContact OD1-CD 3.4Å; D1018-R1021 IonicContact OD1-CZ 2.7Å; D1018-R1021 IonicContact OD1-NE 2.58Å; D1018-R1021 IonicContact OD1-NH1 3.18Å; D1018-R1021 PolarHBondContact OD1-NH1 3Å; D1018-A1022 WeakPolarHBondContact O-CB 3.32Å; D1018-A1022 PolarHBondContact O-N 2.87Å
1019L92.6Very high91.2Very high3 Ų361.8 Ų61.82%0.01630%0.303CS..Hα-helixtrans-61.3-47165.9-66.9175.2000111.2I997 L1000 L1012 V1015 R1021 A1022 L1023I997-L1019 HydrophobicContact CD1-CD2 4.12Å; I997-L1019 HydrophobicContact CG1-CD2 4.29Å; I997-L1019 HydrophobicContact CG2-CD2 4.49Å; L1000-L1019 HydrophobicContact CD2-CD1 4.18Å; L1012-L1019 HydrophobicContact CD1-CD1 4.1Å; V1015-L1019 HydrophobicContact CG2-CD1 4.1Å; V1015-L1019 PolarHBondContact O-N 3.14Å; L1019-R1021 VanDerWaalsContact C-N 3.34Å; L1019-R1021 PolarHBondContact O-N 2.94Å; L1019-A1022 WeakPolarHBondContact O-CB 3.26Å; L1019-A1022 PolarHBondContact O-N 3.12Å; L1019-A1022 VanDerWaalsContact O-N 3.13Å; L1019-L1023 WeakPolarHBondContact O-CG 3.44Å; L1019-L1023 PolarHBondContact O-N 3.18Å
1020Y94.1Very high91.4Very high102 Ų10261.5 Ų61.540%0.430%0.301SS..Hα-helixtrans-57.9-43.7174.5172.5-104.5000112.4L1016 L1023 K1024 L1043 L1046L1016-Y1020 WeakPolarHBondContact O-CB 3.32Å; L1016-Y1020 PolarHBondContact O-N 2.8Å; Y1020-L1023 PolarHBondContact O-N 2.68Å; Y1020-K1024 HydrophobicContact CD2-CG 4.29Å; Y1020-K1024 HydrophobicContact CE1-CG 4.17Å; Y1020-K1024 HydrophobicContact CE2-CD 4.33Å; Y1020-K1024 VanDerWaalsContact CE2-CE 3.5Å; Y1020-K1024 HydrophobicContact CE2-CG 3.85Å; Y1020-K1024 WeakPolarHBondContact O-CB 3.48Å; Y1020-K1024 WeakPolarHBondContact O-CG 3.31Å; Y1020-K1024 PolarHBondContact O-N 3.27Å; Y1020-K1024 VanDerWaalsContact OH-CE 3.32Å; Y1020-K1024 WeakPolarHBondContact OH-CE 3.4Å; Y1020-L1043 HydrophobicContact CD2-CD2 3.47Å; Y1020-L1043 VanDerWaalsContact CD2-CD2 3.47Å; Y1020-L1043 HydrophobicContact CE2-CD2 3.67Å; Y1020-L1046 HydrophobicContact CD2-CD2 3.82Å; Y1020-L1046 HydrophobicContact CG-CD2 4.38Å
1021R93.9Very high91.5Very high142 Ų14261.2 Ų61.254%0.53631%0.309SS..Hα-helixtrans-63-38.8174.6-74.2160.5171.5169.6-2.7112.3L1017 D1018 L1019 L1025L1017-R1021 WeakPolarHBondContact O-CB 3.37Å; L1017-R1021 WeakPolarHBondContact O-CD 3.42Å; L1017-R1021 WeakPolarHBondContact O-CG 3.27Å; L1017-R1021 PolarHBondContact O-N 3.37Å; D1018-R1021 PolarHBondContact O-N 3.29Å; D1018-R1021 VanDerWaalsContact OD1-CD 3.28Å; D1018-R1021 WeakPolarHBondContact OD1-CD 3.4Å; D1018-R1021 IonicContact OD1-CZ 2.7Å; D1018-R1021 IonicContact OD1-NE 2.58Å; D1018-R1021 IonicContact OD1-NH1 3.18Å; D1018-R1021 PolarHBondContact OD1-NH1 3Å; L1019-R1021 VanDerWaalsContact C-N 3.34Å; L1019-R1021 PolarHBondContact O-N 2.94Å; R1021-L1025 WeakPolarHBondContact O-CB 3.39Å; R1021-L1025 PolarHBondContact O-N 3.46Å
1022A92.4Very high91.8Very high2 Ų261.3 Ų61.32%0.01731%0.309CS..Hα-helixtrans-66.3-45.1176.300000111.7T978 I981 D1018 L1019 L1025 V1026T978-A1022 HydrophobicContact CG2-CB 4.35Å; I981-A1022 HydrophobicContact CD1-CB 4.03Å; D1018-A1022 WeakPolarHBondContact O-CB 3.32Å; D1018-A1022 PolarHBondContact O-N 2.87Å; L1019-A1022 WeakPolarHBondContact O-CB 3.26Å; L1019-A1022 PolarHBondContact O-N 3.12Å; L1019-A1022 VanDerWaalsContact O-N 3.13Å; A1022-L1025 WeakPolarHBondContact O-CB 3.23Å; A1022-L1025 PolarHBondContact O-N 2.69Å; A1022-L1025 VanDerWaalsContact O-N 3.14Å; A1022-V1026 PolarHBondContact O-N 3.47Å
1023L95.6Very high91.8Very high1 Ų166 Ų661%0.00534%0.34CS..Hα-helixtrans-61.9-45.7175.2-66175.2000111.9V994 I997 L1001 L1019 Y1020 L1025 V1026 V1027 A1039 A1042 L1043V994-L1023 HydrophobicContact CG1-CD2 4.02Å; I997-L1023 HydrophobicContact CB-CD2 4.27Å; I997-L1023 HydrophobicContact CD1-CD2 4.1Å; I997-L1023 HydrophobicContact CG2-CD1 3.93Å; I997-L1023 HydrophobicContact CG2-CD2 4.04Å; I997-L1023 HydrophobicContact CG2-CG 4.17Å; L1001-L1023 HydrophobicContact CD1-CD1 4.46Å; L1019-L1023 WeakPolarHBondContact O-CG 3.44Å; L1019-L1023 PolarHBondContact O-N 3.18Å; Y1020-L1023 PolarHBondContact O-N 2.68Å; L1023-L1025 PolarHBondContact O-N 2.73Å; L1023-V1026 PolarHBondContact O-N 3.01Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.24Å; L1023-V1027 PolarHBondContact O-N 3.03Å; L1023-V1027 VanDerWaalsContact O-N 3.09Å; L1023-A1039 HydrophobicContact CD2-CB 4.1Å; L1023-A1042 HydrophobicContact CD1-CB 3.66Å; L1023-A1042 HydrophobicContact CD2-CB 3.76Å; L1023-A1042 HydrophobicContact CG-CB 4.36Å; L1023-L1043 HydrophobicContact CB-CD1 4.17Å; L1023-L1043 HydrophobicContact CB-CD2 3.83Å; L1023-L1043 HydrophobicContact CB-CG 3.85Å; L1023-L1043 HydrophobicContact CD1-CD2 4.01Å; L1023-L1043 HydrophobicContact CD1-CG 4.09Å
1024K95.5Very high91.9Very high77 Ų7764.2 Ų64.234%0.33533%0.33SS..Hα-helixtrans-66.7-18.5175.2-71.3-66.5-175.9-171.10113.7Y1020 R1028 L1043Y1020-K1024 HydrophobicContact CD2-CG 4.29Å; Y1020-K1024 HydrophobicContact CE1-CG 4.17Å; Y1020-K1024 HydrophobicContact CE2-CD 4.33Å; Y1020-K1024 VanDerWaalsContact CE2-CE 3.5Å; Y1020-K1024 HydrophobicContact CE2-CG 3.85Å; Y1020-K1024 WeakPolarHBondContact O-CB 3.48Å; Y1020-K1024 WeakPolarHBondContact O-CG 3.31Å; Y1020-K1024 PolarHBondContact O-N 3.27Å; Y1020-K1024 VanDerWaalsContact OH-CE 3.32Å; Y1020-K1024 WeakPolarHBondContact OH-CE 3.4Å; K1024-R1028 VanDerWaalsContact O-CD 3.32Å; K1024-R1028 WeakPolarHBondContact O-CD 3.25Å; K1024-R1028 VanDerWaalsContact O-CG 3.26Å; K1024-R1028 WeakPolarHBondContact O-CG 3.13Å; K1024-L1043 HydrophobicContact CD-CD1 3.73Å; K1024-L1043 HydrophobicContact CD-CD2 4.33Å; K1024-L1043 HydrophobicContact CG-CD1 4.28Å; K1024-L1043 HydrophobicContact CG-CD2 4.24Å
1025L92.6Very high92.1Very high71 Ų7158.2 Ų58.237%0.37230%0.297SS..Hα-helixtrans-76.1-48.1169.5-178.365.7000110.7K982 R1021 A1022 L1023 V1027 R1028 S1029K982-L1025 HydrophobicContact CG-CD2 4.06Å; R1021-L1025 WeakPolarHBondContact O-CB 3.39Å; R1021-L1025 PolarHBondContact O-N 3.46Å; A1022-L1025 WeakPolarHBondContact O-CB 3.23Å; A1022-L1025 PolarHBondContact O-N 2.69Å; A1022-L1025 VanDerWaalsContact O-N 3.14Å; L1023-L1025 PolarHBondContact O-N 2.73Å; L1025-V1027 PolarHBondContact O-N 2.96Å; L1025-R1028 PolarHBondContact O-N 3.09Å; L1025-S1029 WeakPolarHBondContact CD1-OG 3.46Å; L1025-S1029 PolarHBondContact O-N 2.94Å; L1025-S1029 PolarHBondContact O-OG 2.95Å
1026V92.9Very high92.2Very high2 Ų259.4 Ų59.41%0.01231%0.305CS..Hα-helixtrans-54.7-52.4177.3174.80000110.8I981 V994 A1022 L1023 R1028 S1029 D1030 A1035 A1039I981-V1026 HydrophobicContact CD1-CG2 4.22Å; I981-V1026 HydrophobicContact CG1-CG2 4.19Å; I981-V1026 HydrophobicContact CG2-CG2 3.61Å; V994-V1026 HydrophobicContact CG2-CG1 4.19Å; V994-V1026 HydrophobicContact CG2-CG2 3.94Å; A1022-V1026 PolarHBondContact O-N 3.47Å; L1023-V1026 PolarHBondContact O-N 3.01Å; V1026-R1028 PolarHBondContact O-N 3.38Å; V1026-S1029 PolarHBondContact O-N 3Å; V1026-D1030 HydrophobicContact CB-CB 4.46Å; V1026-D1030 HydrophobicContact CG1-CB 3.79Å; V1026-D1030 WeakPolarHBondContact O-CB 3.24Å; V1026-D1030 PolarHBondContact O-N 3.21Å; V1026-A1035 HydrophobicContact CG1-CB 4.22Å; V1026-A1035 WeakPolarHBondContact CG1-O 3.36Å; V1026-A1039 HydrophobicContact CB-CB 3.88Å; V1026-A1039 HydrophobicContact CG1-CB 3.67Å
1027V94.9Very high92.1Very high45 Ų4562.7 Ų62.727%0.27332%0.322SS..Hα-helixtrans-60.3-18.31801780000113.7L1023 L1025 A1039 Q1040 L1043L1023-V1027 WeakPolarHBondContact O-CG2 3.24Å; L1023-V1027 PolarHBondContact O-N 3.03Å; L1023-V1027 VanDerWaalsContact O-N 3.09Å; L1025-V1027 PolarHBondContact O-N 2.96Å; V1027-A1039 HydrophobicContact CG2-CB 3.55Å; V1027-Q1040 HydrophobicContact CG1-CG 4.35Å; V1027-Q1040 HydrophobicContact CG2-CG 4.07Å; V1027-L1043 HydrophobicContact CG2-CD1 4.02Å
1028R92.6Very high92.1Very high214 Ų21460.3 Ų60.381%0.80831%0.308SS*.Hα-helixtrans-103.2-19.8-178.8-75178.7172.1179.1-4.6114.9K1024 L1025 V1026K1024-R1028 VanDerWaalsContact O-CD 3.32Å; K1024-R1028 WeakPolarHBondContact O-CD 3.25Å; K1024-R1028 VanDerWaalsContact O-CG 3.26Å; K1024-R1028 WeakPolarHBondContact O-CG 3.13Å; L1025-R1028 PolarHBondContact O-N 3.09Å; V1026-R1028 PolarHBondContact O-N 3.38Å
1029S88.8Confident92.3Very high77 Ų7756.8 Ų56.854%0.53829%0.289SS..Hα-helixtrans-1520.9-168.258.70000116.7L1025 V1026L1025-S1029 WeakPolarHBondContact CD1-OG 3.46Å; L1025-S1029 PolarHBondContact O-N 2.94Å; L1025-S1029 PolarHBondContact O-OG 2.95Å; V1026-S1029 PolarHBondContact O-N 3Å
1030D91.3Very high92.4Very high20 Ų2060.5 Ų60.511%0.10731%0.306CS..  trans-76.9128.3170.6-157.1-47.4000109.8R990 V1026 D1032 V1036R990-D1030 WeakPolarHBondContact CD-OD2 3.26Å; R990-D1030 IonicContact CZ-OD1 3.68Å; R990-D1030 IonicContact CZ-OD2 2.66Å; R990-D1030 VanDerWaalsContact NE-CG 3.33Å; R990-D1030 IonicContact NE-OD1 3.1Å; R990-D1030 PolarHBondContact NE-OD1 3.24Å; R990-D1030 IonicContact NE-OD2 3.52Å; R990-D1030 PolarHBondContact NE-OD2 3.04Å; R990-D1030 IonicContact NH2-OD1 3.33Å; R990-D1030 PolarHBondContact NH2-OD1 3.32Å; R990-D1030 IonicContact NH2-OD2 3.58Å; V1026-D1030 HydrophobicContact CB-CB 4.46Å; V1026-D1030 HydrophobicContact CG1-CB 3.79Å; V1026-D1030 WeakPolarHBondContact O-CB 3.24Å; V1026-D1030 PolarHBondContact O-N 3.21Å; D1030-D1032 PolarHBondContact O-N 3.11Å; D1030-D1032 WeakPolarHBondContact OD1-CB 3.25Å; D1030-D1032 PolarHBondContact OD1-N 3.12Å; D1030-V1036 HydrophobicContact CB-CG2 4.34Å
1031P89.1Confident92.3Very high117 Ų11759.6 Ų59.676%0.7631%0.308SS*.SBendtrans-72-8.6176.329.8-37.3000114
1032D92.5Very high92.3Very high14 Ų1452.8 Ų52.88%0.07528%0.282CS..  trans-95.4118.4-178.6-176.571.6000113A987 R991 D1030 A1034 A1035 V1036A987-D1032 HydrophobicContact CB-CB 4.21Å; R991-D1032 WeakPolarHBondContact CG-OD2 3.37Å; R991-D1032 IonicContact CZ-OD1 3.63Å; R991-D1032 IonicContact CZ-OD2 2.71Å; R991-D1032 VanDerWaalsContact NE-CG 3.3Å; R991-D1032 IonicContact NE-OD1 3.67Å; R991-D1032 PolarHBondContact NE-OD1 3.39Å; R991-D1032 IonicContact NE-OD2 3.69Å; R991-D1032 PolarHBondContact NE-OD2 3.4Å; R991-D1032 IonicContact NH2-OD1 3.55Å; R991-D1032 PolarHBondContact NH2-OD1 2.89Å; R991-D1032 IonicContact NH2-OD2 3.11Å; D1030-D1032 PolarHBondContact O-N 3.11Å; D1030-D1032 WeakPolarHBondContact OD1-CB 3.25Å; D1030-D1032 PolarHBondContact OD1-N 3.12Å; D1032-A1034 VanDerWaalsContact C-N 3.32Å; D1032-A1034 PolarHBondContact O-N 3.45Å; D1032-A1034 WeakPolarHBondContact OD2-CB 3.3Å; D1032-A1034 PolarHBondContact OD2-N 3.34Å; D1032-A1035 HydrophobicContact CB-CB 4.04Å; D1032-A1035 PolarHBondContact O-N 3.32Å; D1032-A1035 PolarHBondContact OD2-N 2.92Å; D1032-V1036 PolarHBondContact O-N 3Å; D1032-V1036 VanDerWaalsContact O-N 3.08Å
1033P89.8Confident92.4Very high100 Ų10053.6 Ų53.665%0.64929%0.286SS*.Hα-helixtrans-67.7-28.4-175.926.5-34.3000113.4V1036 L1037P1033-V1036 PolarHBondContact O-N 3.37Å; P1033-L1037 WeakPolarHBondContact O-CB 3.46Å; P1033-L1037 PolarHBondContact O-N 2.9Å
1034A89.4Confident92.3Very high34 Ų3459.4 Ų59.428%0.28131%0.313SS..Hα-helixtrans-72.9-36176.700000111.9R991 D1032 L1037 H1038R991-A1034 HydrophobicContact CG-CB 4.15Å; D1032-A1034 VanDerWaalsContact C-N 3.32Å; D1032-A1034 PolarHBondContact O-N 3.45Å; D1032-A1034 WeakPolarHBondContact OD2-CB 3.3Å; D1032-A1034 PolarHBondContact OD2-N 3.34Å; A1034-L1037 PolarHBondContact O-N 3.39Å; A1034-H1038 WeakPolarHBondContact O-CB 2.98Å; A1034-H1038 PolarHBondContact O-CD2 3.18Å; A1034-H1038 VanDerWaalsContact O-CG 3.28Å; A1034-H1038 PolarHBondContact O-N 3Å
1035A90.9Very high92.1Very high0 Ų058.4 Ų58.40%031%0.31CS..Hα-helixtrans-64.5-39.617000000111.8R991 V1026 D1032 A1039R991-A1035 HydrophobicContact CG-CB 4.19Å; V1026-A1035 HydrophobicContact CG1-CB 4.22Å; V1026-A1035 WeakPolarHBondContact CG1-O 3.36Å; D1032-A1035 HydrophobicContact CB-CB 4.04Å; D1032-A1035 PolarHBondContact O-N 3.32Å; D1032-A1035 PolarHBondContact OD2-N 2.92Å; A1035-A1039 WeakPolarHBondContact O-CB 3.4Å; A1035-A1039 PolarHBondContact O-N 3.08Å
1036V93.9Very high92.1Very high29 Ų2955.6 Ų55.618%0.17630%0.295CS..Hα-helixtrans-61.9-47.4172.9172.10000111.5D1030 D1032 P1033 A1039 Q1040D1030-V1036 HydrophobicContact CB-CG2 4.34Å; D1032-V1036 PolarHBondContact O-N 3Å; D1032-V1036 VanDerWaalsContact O-N 3.08Å; P1033-V1036 PolarHBondContact O-N 3.37Å; V1036-A1039 CarbonylContact O-C 3.17Å; V1036-A1039 PolarHBondContact O-N 3.1Å; V1036-A1039 VanDerWaalsContact O-N 3.12Å; V1036-Q1040 WeakPolarHBondContact O-CG 3.16Å; V1036-Q1040 PolarHBondContact O-N 3.38Å
1037L91.3Very high92Very high91 Ų9158.7 Ų58.748%0.47631%0.312SS..Hα-helixtrans-61.3-46.9177178.562.4000112P1033 A1034 A1039 Q1040 L1041P1033-L1037 WeakPolarHBondContact O-CB 3.46Å; P1033-L1037 PolarHBondContact O-N 2.9Å; A1034-L1037 PolarHBondContact O-N 3.39Å; L1037-A1039 PolarHBondContact O-N 3.24Å; L1037-Q1040 PolarHBondContact O-N 3.23Å; L1037-Q1040 VanDerWaalsContact O-N 3.16Å; L1037-L1041 HydrophobicContact CD1-CD1 4.49Å; L1037-L1041 HydrophobicContact CD1-CG 4.48Å; L1037-L1041 HydrophobicContact CG-CD1 4.3Å; L1037-L1041 WeakPolarHBondContact O-CG 3.28Å; L1037-L1041 PolarHBondContact O-N 3.42Å
1038H90.1Very high91.8Very high52 Ų5261 Ų6124%0.24132%0.32CS..Hα-helixtrans-58.3-34.5174.1-73.3-175.9000112R991 V994 H995 A1034 A1042R991-H1038 PolarHBondContact O-ND1 2.94Å; R991-H1038 VanDerWaalsContact O-ND1 3.12Å; V994-H1038 HydrophobicContact CB-CB 4.19Å; V994-H1038 HydrophobicContact CG1-CB 3.62Å; H995-H1038 AromaticContact ND1-CE1 3.9Å; A1034-H1038 WeakPolarHBondContact O-CB 2.98Å; A1034-H1038 PolarHBondContact O-CD2 3.18Å; A1034-H1038 VanDerWaalsContact O-CG 3.28Å; A1034-H1038 PolarHBondContact O-N 3Å; H1038-A1042 WeakPolarHBondContact O-CB 3.43Å; H1038-A1042 PolarHBondContact O-N 3.01Å
1039A94.9Very high91.6Very high0 Ų051.1 Ų51.10%028%0.283CS..Hα-helixtrans-77.5-29.8178.400000113V994 L1023 V1026 V1027 A1035 V1036 L1037 L1043V994-A1039 HydrophobicContact CG1-CB 3.73Å; L1023-A1039 HydrophobicContact CD2-CB 4.1Å; V1026-A1039 HydrophobicContact CB-CB 3.88Å; V1026-A1039 HydrophobicContact CG1-CB 3.67Å; V1027-A1039 HydrophobicContact CG2-CB 3.55Å; A1035-A1039 WeakPolarHBondContact O-CB 3.4Å; A1035-A1039 PolarHBondContact O-N 3.08Å; V1036-A1039 CarbonylContact O-C 3.17Å; V1036-A1039 PolarHBondContact O-N 3.1Å; V1036-A1039 VanDerWaalsContact O-N 3.12Å; L1037-A1039 PolarHBondContact O-N 3.24Å; A1039-L1043 WeakPolarHBondContact O-CB 3.33Å; A1039-L1043 WeakPolarHBondContact O-CD1 3.5Å; A1039-L1043 WeakPolarHBondContact O-CG 3.41Å; A1039-L1043 PolarHBondContact O-N 3.17Å; A1039-L1043 VanDerWaalsContact O-N 3.15Å
1040Q94.5Very high91.6Very high80 Ų8049.9 Ų49.937%0.37427%0.269SS..Hα-helixtrans-65.4-51.8170-72.4167.9-17.800110.5V1027 V1036 L1037 A1042 L1043 E1044V1027-Q1040 HydrophobicContact CG1-CG 4.35Å; V1027-Q1040 HydrophobicContact CG2-CG 4.07Å; V1036-Q1040 WeakPolarHBondContact O-CG 3.16Å; V1036-Q1040 PolarHBondContact O-N 3.38Å; L1037-Q1040 PolarHBondContact O-N 3.23Å; L1037-Q1040 VanDerWaalsContact O-N 3.16Å; Q1040-A1042 VanDerWaalsContact C-N 3.3Å; Q1040-A1042 PolarHBondContact O-N 3.28Å; Q1040-L1043 CarbonylContact O-C 3.52Å; Q1040-L1043 WeakPolarHBondContact O-CA 3.49Å; Q1040-L1043 WeakPolarHBondContact O-CB 3.44Å; Q1040-L1043 PolarHBondContact O-N 2.81Å; Q1040-E1044 PolarHBondContact O-N 3.22Å
1041L91.3Very high91.5Very high83 Ų8355 Ų5544%0.43529%0.287SS..Hα-helixtrans-57-41.6176.5-66.3169.9000112.3L1037 L1043 E1044 E1045L1037-L1041 HydrophobicContact CD1-CD1 4.49Å; L1037-L1041 HydrophobicContact CD1-CG 4.48Å; L1037-L1041 HydrophobicContact CG-CD1 4.3Å; L1037-L1041 WeakPolarHBondContact O-CG 3.28Å; L1037-L1041 PolarHBondContact O-N 3.42Å; L1041-L1043 VanDerWaalsContact C-N 3.29Å; L1041-L1043 PolarHBondContact O-N 2.92Å; L1041-E1044 PolarHBondContact O-N 3.32Å; L1041-E1045 WeakPolarHBondContact O-CG 3.4Å; L1041-E1045 PolarHBondContact O-N 3.06Å
1042A93.5Very high91.3Very high0 Ų054.2 Ų54.20%027%0.269CS..Hα-helixtrans-65.5-29.4175.100000113.4A998 L1001 L1023 H1038 Q1040 L1046A998-A1042 HydrophobicContact CB-CB 3.98Å; L1001-A1042 HydrophobicContact CD1-CB 4.4Å; L1001-A1042 VanDerWaalsContact CD1-O 3.24Å; L1001-A1042 WeakPolarHBondContact CD1-O 3.45Å; L1023-A1042 HydrophobicContact CD1-CB 3.66Å; L1023-A1042 HydrophobicContact CD2-CB 3.76Å; L1023-A1042 HydrophobicContact CG-CB 4.36Å; H1038-A1042 WeakPolarHBondContact O-CB 3.43Å; H1038-A1042 PolarHBondContact O-N 3.01Å; Q1040-A1042 VanDerWaalsContact C-N 3.3Å; Q1040-A1042 PolarHBondContact O-N 3.28Å; A1042-L1046 WeakPolarHBondContact O-CB 3.43Å; A1042-L1046 PolarHBondContact O-N 2.9Å
1043L95.4Very high90.9Very high19 Ų1959.9 Ų59.910%0.09929%0.293CS..Hα-helixtrans-78.4-30.2175-73.3166.4000112.4Y1020 L1023 K1024 V1027 A1039 Q1040 L1041 D1047Y1020-L1043 HydrophobicContact CD2-CD2 3.47Å; Y1020-L1043 VanDerWaalsContact CD2-CD2 3.47Å; Y1020-L1043 HydrophobicContact CE2-CD2 3.67Å; L1023-L1043 HydrophobicContact CB-CD1 4.17Å; L1023-L1043 HydrophobicContact CB-CD2 3.83Å; L1023-L1043 HydrophobicContact CB-CG 3.85Å; L1023-L1043 HydrophobicContact CD1-CD2 4.01Å; L1023-L1043 HydrophobicContact CD1-CG 4.09Å; K1024-L1043 HydrophobicContact CD-CD1 3.73Å; K1024-L1043 HydrophobicContact CD-CD2 4.33Å; K1024-L1043 HydrophobicContact CG-CD1 4.28Å; K1024-L1043 HydrophobicContact CG-CD2 4.24Å; V1027-L1043 HydrophobicContact CG2-CD1 4.02Å; A1039-L1043 WeakPolarHBondContact O-CB 3.33Å; A1039-L1043 WeakPolarHBondContact O-CD1 3.5Å; A1039-L1043 WeakPolarHBondContact O-CG 3.41Å; A1039-L1043 PolarHBondContact O-N 3.17Å; A1039-L1043 VanDerWaalsContact O-N 3.15Å; Q1040-L1043 CarbonylContact O-C 3.52Å; Q1040-L1043 WeakPolarHBondContact O-CA 3.49Å; Q1040-L1043 WeakPolarHBondContact O-CB 3.44Å; Q1040-L1043 PolarHBondContact O-N 2.81Å; L1041-L1043 VanDerWaalsContact C-N 3.29Å; L1041-L1043 PolarHBondContact O-N 2.92Å; L1043-D1047 WeakPolarHBondContact O-CB 3.33Å; L1043-D1047 PolarHBondContact O-N 2.85Å
1044E93.4Very high90.6Very high122 Ų12259.5 Ų59.557%0.5729%0.289SS*.Hα-helixtrans-71.4-45.7174.8-71.4168.1-174.600111.8Q1040 L1041 L1046 D1047 H1048Q1040-E1044 PolarHBondContact O-N 3.22Å; L1041-E1044 PolarHBondContact O-N 3.32Å; E1044-L1046 VanDerWaalsContact C-N 3.28Å; E1044-L1046 PolarHBondContact O-N 2.94Å; E1044-D1047 PolarHBondContact O-N 2.97Å; E1044-H1048 PolarHBondContact O-N 3.43Å
1045E91.8Very high90.4Very high56 Ų5665.4 Ų65.426%0.26231%0.308SS..Hα-helixtrans-57.1-42.8171-70.4-81.6-165.800110.8L1001 R1002 L1041 H1048 V1049L1001-E1045 HydrophobicContact CB-CB 4.48Å; R1002-E1045 VanDerWaalsContact CD-OE1 3.25Å; R1002-E1045 WeakPolarHBondContact CD-OE1 3.21Å; R1002-E1045 WeakPolarHBondContact CG-OE1 3.49Å; R1002-E1045 IonicContact CZ-OE1 2.75Å; R1002-E1045 IonicContact NE-OE1 3.4Å; L1041-E1045 WeakPolarHBondContact O-CG 3.4Å; L1041-E1045 PolarHBondContact O-N 3.06Å; E1045-H1048 PolarHBondContact O-N 3.36Å; E1045-V1049 VanDerWaalsContact O-CG2 3.32Å; E1045-V1049 WeakPolarHBondContact O-CG2 3.37Å; E1045-V1049 PolarHBondContact O-N 3.29Å; E1045-V1049 VanDerWaalsContact O-N 3.1Å
1046L92.4Very high89.6Confident12 Ų1269.8 Ų69.86%0.06334%0.337CS..Hα-helixtrans-64.3-44.9175.8-179.759.1000112.5L1001 L1016 Y1020 A1042 E1044 V1049 M1050L1001-L1046 HydrophobicContact CD1-CB 4.11Å; L1001-L1046 HydrophobicContact CD2-CD1 4.06Å; L1016-L1046 HydrophobicContact CD1-CD1 3.73Å; L1016-L1046 HydrophobicContact CD2-CD1 4.14Å; L1016-L1046 HydrophobicContact CG-CD1 4.07Å; Y1020-L1046 HydrophobicContact CD2-CD2 3.82Å; Y1020-L1046 HydrophobicContact CG-CD2 4.38Å; A1042-L1046 WeakPolarHBondContact O-CB 3.43Å; A1042-L1046 PolarHBondContact O-N 2.9Å; E1044-L1046 VanDerWaalsContact C-N 3.28Å; E1044-L1046 PolarHBondContact O-N 2.94Å; L1046-V1049 PolarHBondContact O-N 3Å; L1046-M1050 HydrophobicContact CD1-CE 4.01Å; L1046-M1050 HydrophobicContact CD1-CG 4.17Å; L1046-M1050 HydrophobicContact CD1-SD 4.46Å; L1046-M1050 HydrophobicContact CG-CG 4.39Å; L1046-M1050 VanDerWaalsContact O-CG 3.29Å; L1046-M1050 WeakPolarHBondContact O-CG 3.1Å; L1046-M1050 PolarHBondContact O-N 3.4Å
1047D91.3Very high88.5Confident68 Ų6875.9 Ų75.936%0.36436%0.363SS..Hα-helixtrans-62.5-42.6177.6-177.324.9000111.3L1043 E1044 V1049 M1050 R1051L1043-D1047 WeakPolarHBondContact O-CB 3.33Å; L1043-D1047 PolarHBondContact O-N 2.85Å; E1044-D1047 PolarHBondContact O-N 2.97Å; D1047-V1049 PolarHBondContact O-N 2.97Å; D1047-M1050 PolarHBondContact O-N 3.13Å; D1047-R1051 WeakPolarHBondContact O-CB 3.13Å; D1047-R1051 VanDerWaalsContact O-CG 3.23Å; D1047-R1051 WeakPolarHBondContact O-CG 3.28Å; D1047-R1051 PolarHBondContact O-N 3.34Å; D1047-R1051 IonicContact OD1-CZ 2.79Å; D1047-R1051 IonicContact OD1-NE 2.73Å; D1047-R1051 PolarHBondContact OD1-NE 3.23Å; D1047-R1051 IonicContact OD1-NH2 2.82Å; D1047-R1051 IonicContact OD2-CZ 2.8Å; D1047-R1051 IonicContact OD2-NE 2.71Å; D1047-R1051 PolarHBondContact OD2-NE 3.29Å; D1047-R1051 IonicContact OD2-NH2 3.74Å; D1047-R1051 PolarHBondContact OD2-NH2 2.68Å
1048H88.9Confident87.3Confident94 Ų9480.4 Ų80.444%0.43538%0.382SS..Hα-helixtrans-58.9-45.3175.1-169.851000112.4E1044 E1045 R1051 R1052E1044-H1048 PolarHBondContact O-N 3.43Å; E1045-H1048 PolarHBondContact O-N 3.36Å; H1048-R1051 PolarHBondContact O-N 2.59Å; H1048-R1052 PolarHBondContact NE2-NE 2.99Å; H1048-R1052 PolarHBondContact NE2-NH2 3.01Å; H1048-R1052 WeakPolarHBondContact O-CG 3.15Å; H1048-R1052 PolarHBondContact O-N 3.12Å
1049V88.8Confident85.8Confident5 Ų585 Ų853%0.0340%0.401CS..Hα-helixtrans-65.8-41.8176172.40000111.9S1005 T1008 E1045 L1046 D1047 R1052 F1053S1005-V1049 WeakPolarHBondContact O-CG1 3.49Å; T1008-V1049 HydrophobicContact CG2-CG1 4.36Å; E1045-V1049 VanDerWaalsContact O-CG2 3.32Å; E1045-V1049 WeakPolarHBondContact O-CG2 3.37Å; E1045-V1049 PolarHBondContact O-N 3.29Å; E1045-V1049 VanDerWaalsContact O-N 3.1Å; L1046-V1049 PolarHBondContact O-N 3Å; D1047-V1049 PolarHBondContact O-N 2.97Å; V1049-R1052 PolarHBondContact O-N 3.47Å; V1049-F1053 WeakPolarHBondContact O-CB 3.45Å; V1049-F1053 PolarHBondContact O-N 2.88Å; V1049-F1053 VanDerWaalsContact O-N 3.11Å
1050M89.8Confident84Confident52 Ų5293.4 Ų93.426%0.25645%0.445SS..Hα-helixtrans-64.9-41.8175.4-68.3-54.489.900111.9T1009 L1016 L1046 D1047 F1053 V1054T1009-M1050 HydrophobicContact CG2-CE 3.44Å; T1009-M1050 VanDerWaalsContact CG2-CE 3.44Å; T1009-M1050 HydrophobicContact CG2-SD 4.5Å; L1016-M1050 HydrophobicContact CD2-CE 3.79Å; L1016-M1050 HydrophobicContact CD2-SD 4.05Å; L1046-M1050 HydrophobicContact CD1-CE 4.01Å; L1046-M1050 HydrophobicContact CD1-CG 4.17Å; L1046-M1050 HydrophobicContact CD1-SD 4.46Å; L1046-M1050 HydrophobicContact CG-CG 4.39Å; L1046-M1050 VanDerWaalsContact O-CG 3.29Å; L1046-M1050 WeakPolarHBondContact O-CG 3.1Å; L1046-M1050 PolarHBondContact O-N 3.4Å; D1047-M1050 PolarHBondContact O-N 3.13Å; M1050-F1053 PolarHBondContact O-N 3.24Å; M1050-V1054 WeakPolarHBondContact O-CG2 3.5Å; M1050-V1054 PolarHBondContact O-N 2.91Å
1051R87.6Confident82.3Confident128 Ų12896.1 Ų96.148%0.48346%0.458SS..Hα-helixtrans-60.7-45.3177.1-74.2173.1-170.1-150.611.7111.5D1047 H1048 F1053 V1054 F1055D1047-R1051 WeakPolarHBondContact O-CB 3.13Å; D1047-R1051 VanDerWaalsContact O-CG 3.23Å; D1047-R1051 WeakPolarHBondContact O-CG 3.28Å; D1047-R1051 PolarHBondContact O-N 3.34Å; D1047-R1051 IonicContact OD1-CZ 2.79Å; D1047-R1051 IonicContact OD1-NE 2.73Å; D1047-R1051 PolarHBondContact OD1-NE 3.23Å; D1047-R1051 IonicContact OD1-NH2 2.82Å; D1047-R1051 IonicContact OD2-CZ 2.8Å; D1047-R1051 IonicContact OD2-NE 2.71Å; D1047-R1051 PolarHBondContact OD2-NE 3.29Å; D1047-R1051 IonicContact OD2-NH2 3.74Å; D1047-R1051 PolarHBondContact OD2-NH2 2.68Å; H1048-R1051 PolarHBondContact O-N 2.59Å; R1051-F1053 VanDerWaalsContact C-N 3.31Å; R1051-F1053 PolarHBondContact O-N 3.21Å; R1051-V1054 PolarHBondContact O-N 3.37Å; R1051-F1055 WeakPolarHBondContact O-CA 3.3Å; R1051-F1055 WeakPolarHBondContact O-CB 3.25Å; R1051-F1055 PolarHBondContact O-N 3.35Å
1052R85.5Confident80.5Confident99 Ų99101.7 Ų101.737%0.37448%0.479SS..Hα-helixtrans-61.8-37.3174.9-73177.9174.9-168.7-1.7113.2D1006 H1048 V1049 F1055 P1056D1006-R1052 WeakPolarHBondContact OD1-CD 3.21Å; D1006-R1052 IonicContact OD1-CZ 2.71Å; D1006-R1052 IonicContact OD1-NE 3.55Å; D1006-R1052 IonicContact OD1-NH1 2.63Å; D1006-R1052 PolarHBondContact OD1-NH1 3.3Å; D1006-R1052 IonicContact OD2-NH1 3.43Å; H1048-R1052 PolarHBondContact NE2-NE 2.99Å; H1048-R1052 PolarHBondContact NE2-NH2 3.01Å; H1048-R1052 WeakPolarHBondContact O-CG 3.15Å; H1048-R1052 PolarHBondContact O-N 3.12Å; V1049-R1052 PolarHBondContact O-N 3.47Å; R1052-F1055 CarbonylContact O-C 3.37Å; R1052-P1056 WeakPolarHBondContact O-CA 3.13Å
1053F83.9Confident78.4Confident133 Ų133110.5 Ų110.558%0.58352%0.517SS*.Hα-helixtrans-71.9-39.9179.1-179.2-103.2000112.9T1009 V1049 M1050 R1051T1009-F1053 HydrophobicContact CG2-CB 4.16Å; T1009-F1053 HydrophobicContact CG2-CD1 4.13Å; T1009-F1053 HydrophobicContact CG2-CD2 3.88Å; T1009-F1053 HydrophobicContact CG2-CE2 4.28Å; T1009-F1053 HydrophobicContact CG2-CG 3.79Å; V1049-F1053 WeakPolarHBondContact O-CB 3.45Å; V1049-F1053 PolarHBondContact O-N 2.88Å; V1049-F1053 VanDerWaalsContact O-N 3.11Å; M1050-F1053 PolarHBondContact O-N 3.24Å; R1051-F1053 VanDerWaalsContact C-N 3.31Å; R1051-F1053 PolarHBondContact O-N 3.21Å
1054V85.1Confident76.7Confident92 Ų92116.8 Ų116.856%0.55855%0.549SS*.Hα-helixtrans-80.2-34.3179.2176.50000112.1M1050 R1051 P1056M1050-V1054 WeakPolarHBondContact O-CG2 3.5Å; M1050-V1054 PolarHBondContact O-N 2.91Å; R1051-V1054 PolarHBondContact O-N 3.37Å; V1054-P1056 VanDerWaalsContact C-CD 3.47Å; V1054-P1056 WeakPolarHBondContact O-CD 3.22Å
1055F83.7Confident75.1Confident158 Ų158116 Ų11669%0.69355%0.553SS**SBendtrans-124.269.8-178.1-52.2-73.7000110.9R1051 R1052R1051-F1055 WeakPolarHBondContact O-CA 3.3Å; R1051-F1055 WeakPolarHBondContact O-CB 3.25Å; R1051-F1055 PolarHBondContact O-N 3.35Å; R1052-F1055 CarbonylContact O-C 3.37Å
1056P75.4Confident73.3Confident92 Ų92119.4 Ų119.460%0.59758%0.576SS**  trans-64.4139.2179.726.8-35.2000111.8R1052 V1054 Q1058R1052-P1056 WeakPolarHBondContact O-CA 3.13Å; V1054-P1056 VanDerWaalsContact C-CD 3.47Å; V1054-P1056 WeakPolarHBondContact O-CD 3.22Å; P1056-Q1058 PolarHBondContact O-N 3.33Å
1057E69.8Low71Confident157 Ų157125.5 Ų125.573%0.73461%0.608SS**  trans-59.3126.9179.5-66179.2173.300111.8K1059E1057-K1059 PolarHBondContact O-N 2.66Å
1058Q65.6Low69.4Low186 Ų186131.5 Ų131.587%0.86965%0.651SS**  trans-76.482.9-179.8-66.6-170.58.900111.6P1056 L1060P1056-Q1058 PolarHBondContact O-N 3.33Å; Q1058-L1060 PolarHBondContact O-N 2.79Å
1059K59.3Low68.5Low150 Ų150133.4 Ų133.465%0.65266%0.662SS**  trans-64.8117.5171.7-62.3-174-179.8-178.70110.2E1057 E1061E1057-K1059 PolarHBondContact O-N 2.66Å; K1059-E1061 HydrophobicContact CB-CG 4.08Å; K1059-E1061 WeakPolarHBondContact CD-OE1 3.37Å; K1059-E1061 PolarHBondContact O-N 3.13Å
1060L56Low67.4Low175 Ų175140.2 Ų140.292%0.91670%0.695SS**  trans-7655.6178.8-71.2171.9000112.3Q1058 K1062Q1058-L1060 PolarHBondContact O-N 2.79Å; L1060-K1062 PolarHBondContact O-N 3.28Å
1061E59.8Low66.2Low138 Ų138145.1 Ų145.165%0.64572%0.72SS**  trans-78.3118.1180-71.1173.3-155.800111.2K1059 K1063K1059-E1061 HydrophobicContact CB-CG 4.08Å; K1059-E1061 WeakPolarHBondContact CD-OE1 3.37Å; K1059-E1061 PolarHBondContact O-N 3.13Å; E1061-K1063 PolarHBondContact O-N 3.44Å
1062K53.3Low64.9Low200 Ų200146.1 Ų146.187%0.8773%0.734SS**  trans-69.789.6174.7-74.8-177.6177.2175.60110.8L1060 I1064L1060-K1062 PolarHBondContact O-N 3.28Å; K1062-I1064 PolarHBondContact O-N 3.34Å
1063K49.3Very low63.6Low185 Ų185149 Ų14980%0.80476%0.756SS**  trans-64.293.3166.4-78.6-174.7175.1176.60110.7E1061 V1065E1061-K1063 PolarHBondContact O-N 3.44Å; K1063-V1065 PolarHBondContact O-N 3.11Å; K1063-V1065 VanDerWaalsContact O-N 3.11Å
1064I60.5Low62.3Low151 Ų151150.1 Ų150.177%0.77477%0.768SS**  trans-73.596.6166.7-57.8177.1000107.5K1062 V1066K1062-I1064 PolarHBondContact O-N 3.34Å; I1064-V1066 HydrophobicContact CG2-CG2 4.28Å; I1064-V1066 PolarHBondContact O-N 2.96Å
1065V58.9Low60.6Low106 Ų106154.2 Ų154.264%0.64278%0.783SS**  trans-82.9102170.6-177.70000108.1K1063 L1067K1063-V1065 PolarHBondContact O-N 3.11Å; K1063-V1065 VanDerWaalsContact O-N 3.11Å; V1065-L1067 HydrophobicContact CG1-CD2 3.93Å; V1065-L1067 HydrophobicContact CG1-CG 4.23Å; V1065-L1067 PolarHBondContact O-N 2.77Å
1066V53.4Low58.8Low126 Ų126153.9 Ų153.976%0.76479%0.79SS**  trans-75.6109.1162.9-177.40000106.9I1064I1064-V1066 HydrophobicContact CG2-CG2 4.28Å; I1064-V1066 PolarHBondContact O-N 2.96Å
1067L46.2Very low57.5Low140 Ų140159.1 Ų159.173%0.73381%0.806SS**  trans-75.8141.7171.1-67.8170.4000109.5V1065V1065-L1067 HydrophobicContact CG1-CD2 3.93Å; V1065-L1067 HydrophobicContact CG1-CG 4.23Å; V1065-L1067 PolarHBondContact O-N 2.77Å
1068P57.6Low56.3Low195 Ų195159.3 Ų159.3100%1.26681%0.812SS**  trans-75.7017633.8-36.2000113

Retrieved 1,068 of 1,068 residues in 2025.3 ms (Link to these results)

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